1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C20H37N3O2 — CID 87016849

IUPAC1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(CC(=O)N(C)CC2CCCCC2)CC1
InChIInChI=1S/C20H37N3O2/c1-16(2)22(4)20(25)18-10-12-23(13-11-18)15-19(24)21(3)14-17-8-6-5-7-9-17/h16-18H,5-15H2,1-4H3
InChIKeyOMBKILNNRCNOJK-UHFFFAOYSA-N
MW351.54 g/mol
LogP2.60
Rot. Bonds6

About 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 87016849) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID87016849
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC Name1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(CC(=O)N(C)CC2CCCCC2)CC1
InChIInChI=1S/C20H37N3O2/c1-16(2)22(4)20(25)18-10-12-23(13-11-18)15-19(24)21(3)14-17-8-6-5-7-9-17/h16-18H,5-15H2,1-4H3
InChIKeyOMBKILNNRCNOJK-UHFFFAOYSA-N
XLogP2.60
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904803
N-(cyclohexylmethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 78894131
1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 86983173
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60669971
N-methyl-N-propan-2-yl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848072
2-[cyclopentylmethyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86869723
2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 48966293
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78856763
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87012543

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 87016849) is 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(CC(=O)N(C)CC2CCCCC2)CC1.
What is the InChIKey of 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is OMBKILNNRCNOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-16(2)22(4)20(25)18-10-12-23(13-11-18)15-19(24)21(3)14-17-8-6-5-7-9-17/h16-18H,5-15H2,1-4H3.
What are the key properties of 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 351.54 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 87016849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).