4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone

C59H118N6O3 — CID 159933974

IUPAC4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(C)(C)C)CC1.CCC(=O)N1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CN(C)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O.2C12H23NO.C12H25N.C11H23N/c1-12(2,3)10-6-8-14(9-7-10)11(15)13(4)5;1-10(14)13-7-5-11(6-8-13)9-12(2,3)4;1-5-11(14)13-8-6-10(7-9-13)12(2,3)4;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4/h10H,6-9H2,1-5H3;11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3
InChIKeyNZZQFAROVHJMND-UHFFFAOYSA-N
MW959.63 g/mol
LogP13.71
Rot. Bonds5

About 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone

4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone (PubChem CID 159933974) has the molecular formula C59H118N6O3 and a molecular weight of 959.63 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
PubChem CID159933974
Molecular FormulaC59H118N6O3
Molecular Weight959.63 g/mol
Exact Mass958.93
IUPAC Name4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(C)(C)C)CC1.CCC(=O)N1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CN(C)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O.2C12H23NO.C12H25N.C11H23N/c1-12(2,3)10-6-8-14(9-7-10)11(15)13(4)5;1-10(14)13-7-5-11(6-8-13)9-12(2,3)4;1-5-11(14)13-8-6-10(7-9-13)12(2,3)4;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4/h10H,6-9H2,1-5H3;11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3
InChIKeyNZZQFAROVHJMND-UHFFFAOYSA-N
XLogP13.71
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.63
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-Tert-butyl-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperidin-1-yl)ethanone;4-tert-butyl-2,2,3,3,4-pentadeuteriopiperidine-1-carboxamide;4-tert-butyl-3,3,4,5,5-pentadeuteriopiperidine-1-carboxamide;4-tert-butyl-2,2,3,3-tetradeuteriopiperidine-1-carboxamide;1-(4-tert-butyl-2,2,6,6-tetradeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-3,3,5,5-tetradeuteriopiperidin-1-yl)ethanone;methane
CID 157965041
4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one
CID 158034861
1-(4-Tert-butyl-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3,4-pentadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-3,3,4,5,5-pentadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3-tetradeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,6,6-tetradeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-3,3,5,5-tetradeuteriopiperidin-1-yl)ethanone;methane
CID 159520021
3,3-Dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one;1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 159899988
3,3-Dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one;1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 160445130
4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine
CID 162176246
1-[2-[1-(3-Methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine;1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-4-(2-methylpropyl)piperazine;1-[3-[1-(3-methylbutyl)piperidin-4-yl]propyl]-4-(2-methylpropyl)piperazine;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]piperidin-1-yl]propan-1-one;1-(2-methylpropyl)-4-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine;1-(2-methylpropyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-(2-methylpropyl)-4-[3-[1-(2-methylpropyl)piperidin-4-yl]propyl]piperazine
CID 167538507
1-(3-Methylbutyl)-4-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine;1-(3-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-(3-methylbutyl)-4-[3-[1-(2-methylpropyl)piperidin-4-yl]propyl]piperazine;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[3-[1-(2-methylpropyl)piperidin-4-yl]propyl]piperazin-1-yl]propan-1-one;1-(2-methylpropyl)-4-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine;1-(2-methylpropyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-(2-methylpropyl)-4-[3-[1-(2-methylpropyl)piperidin-4-yl]propyl]piperazine
CID 167692663
2-Methyl-1-[9-[[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 172096712

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
The IUPAC name of 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone (CID 159933974) is 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(CC(C)(C)C)CC1.CCC(=O)N1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CN(C)C(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
The InChIKey is NZZQFAROVHJMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2C12H23NO.C12H25N.C11H23N/c1-12(2,3)10-6-8-14(9-7-10)11(15)13(4)5;1-10(14)13-7-5-11(6-8-13)9-12(2,3)4;1-5-11(14)13-8-6-10(7-9-13)12(2,3)4;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4/h10H,6-9H2,1-5H3;11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone has a molecular weight of 959.63 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 159933974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).