1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C19H35N3O2 — CID 87012543

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC1CC(C)CN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C1
InChIInChI=1S/C19H35N3O2/c1-14(2)20(5)19(24)17-6-8-22(9-7-17)18(23)13-21-11-15(3)10-16(4)12-21/h14-17H,6-13H2,1-5H3
InChIKeyFWECBOKRLDPKBC-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 87012543) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID87012543
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC1CC(C)CN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C1
InChIInChI=1S/C19H35N3O2/c1-14(2)20(5)19(24)17-6-8-22(9-7-17)18(23)13-21-11-15(3)10-16(4)12-21/h14-17H,6-13H2,1-5H3
InChIKeyFWECBOKRLDPKBC-UHFFFAOYSA-N
XLogP2.07
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-acetamidopiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87014549
1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 75381738
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 86983173
1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 128925402
1-[2-[(2,2-dimethylcyclopentyl)amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 131963897
1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 99850189
1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87016849
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487
1-(2-hydroxyacetyl)-N,N-dimethylpiperidine-4-carboxamide
CID 170068801
1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78896334
1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916112

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 87012543) is 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC1CC(C)CN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is FWECBOKRLDPKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-14(2)20(5)19(24)17-6-8-22(9-7-17)18(23)13-21-11-15(3)10-16(4)12-21/h14-17H,6-13H2,1-5H3.
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 87012543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).