N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C58H109N11O4 — CID 158504162

IUPACN-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CCCCC2)CC1.CC(C)N1CCC(NC(=O)C2CCCCN2)CC1.CC(C)N1CCC(NC(=O)C2CCCNC2)CC1.CC(C)N1CCC(NC(=O)N2CCC3(CC3)C2)CC1
InChIInChI=1S/C15H27N3O.C15H28N2O.2C14H27N3O/c1-12(2)17-8-3-13(4-9-17)16-14(19)18-10-7-15(11-18)5-6-15;1-12(2)17-10-8-14(9-11-17)16-15(18)13-6-4-3-5-7-13;1-11(2)17-8-5-13(6-9-17)16-14(18)12-4-3-7-15-10-12;1-11(2)17-9-6-12(7-10-17)16-14(18)13-5-3-4-8-15-13/h12-13H,3-11H2,1-2H3,(H,16,19);12-14H,3-11H2,1-2H3,(H,16,18);2*11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyHKGOHSAXLIAPEV-UHFFFAOYSA-N
MW1024.58 g/mol
LogP6.70
Rot. Bonds11

About N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 158504162) has the molecular formula C58H109N11O4 and a molecular weight of 1024.58 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID158504162
Molecular FormulaC58H109N11O4
Molecular Weight1024.58 g/mol
Exact Mass1023.87
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CCCCC2)CC1.CC(C)N1CCC(NC(=O)C2CCCCN2)CC1.CC(C)N1CCC(NC(=O)C2CCCNC2)CC1.CC(C)N1CCC(NC(=O)N2CCC3(CC3)C2)CC1
InChIInChI=1S/C15H27N3O.C15H28N2O.2C14H27N3O/c1-12(2)17-8-3-13(4-9-17)16-14(19)18-10-7-15(11-18)5-6-15;1-12(2)17-10-8-14(9-11-17)16-15(18)13-6-4-3-5-7-13;1-11(2)17-8-5-13(6-9-17)16-14(18)12-4-3-7-15-10-12;1-11(2)17-9-6-12(7-10-17)16-14(18)13-5-3-4-8-15-13/h12-13H,3-11H2,1-2H3,(H,16,19);12-14H,3-11H2,1-2H3,(H,16,18);2*11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyHKGOHSAXLIAPEV-UHFFFAOYSA-N
XLogP6.70
TPSA156.66 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.58
LogP ≤ 56.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-[[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]acetyl]-N-[1,2-dioxo-1-(propylamino)heptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58799595
(1R,2S,5S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1-(ethylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58799661
(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]acetyl]-N-[1-(ethylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58799930
(1R,2S,5S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1-(ethylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58800029
(2S)-N-(1-amino-1,2-dioxohexan-3-yl)-3-[2-cyclohexyl-2-(piperazine-1-carbonylamino)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 59115588
(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]acetyl]-N-[1-(ethylamino)-1,2-dioxohexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 70954677
(1R,2S,5S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[1-(ethylamino)-1,2-dioxohexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 70954765
4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide
CID 157444280
1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione;2-methylpropan-2-amine
CID 158084486
2,4-Di(propan-2-yl)-2-azabicyclo[2.2.2]octan-3-one;1,3-di(propan-2-yl)-1,3-diazinan-2-one;1,3-di(propan-2-yl)piperazine-2,5-dione;1,4-di(propan-2-yl)piperazine-2,5-dione;ethane;2-methylpropane;1-propan-2-ylpiperidin-2-one
CID 159197390
1-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(tert-butylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-2-one;4-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperazine-1-carboxamide;1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide;N-tert-butyl-3-(1-tert-butylpiperidin-4-yl)propanamide;6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-2-one;1-(1-tert-butylpiperidin-4-yl)-6,6-dimethylheptane-2,4-dione
CID 159242312
(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 159868786

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 158504162) is N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is CC(C)N1CCC(NC(=O)C2CCCCC2)CC1.CC(C)N1CCC(NC(=O)C2CCCCN2)CC1.CC(C)N1CCC(NC(=O)C2CCCNC2)CC1.CC(C)N1CCC(NC(=O)N2CCC3(CC3)C2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is HKGOHSAXLIAPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.C15H28N2O.2C14H27N3O/c1-12(2)17-8-3-13(4-9-17)16-14(19)18-10-7-15(11-18)5-6-15;1-12(2)17-10-8-14(9-11-17)16-15(18)13-6-4-3-5-7-13;1-11(2)17-8-5-13(6-9-17)16-14(18)12-4-3-7-15-10-12;1-11(2)17-9-6-12(7-10-17)16-14(18)13-5-3-4-8-15-13/h12-13H,3-11H2,1-2H3,(H,16,19);12-14H,3-11H2,1-2H3,(H,16,18);2*11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 1024.58 g/mol, XLogP of 6.70, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-5-azaspiro[2.4]heptane-5-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)cyclohexanecarboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 158504162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).