3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide

C18H33N3O2 — CID 166236584

IUPAC3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESCCC1CCCCC1CNC(=O)N1CCCC(CNC(C)=O)C1
InChIInChI=1S/C18H33N3O2/c1-3-16-8-4-5-9-17(16)12-20-18(23)21-10-6-7-15(13-21)11-19-14(2)22/h15-17H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJUPUKCPUTASPBE-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.76
Rot. Bonds5

About 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide

3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide (PubChem CID 166236584) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
PubChem CID166236584
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESCCC1CCCCC1CNC(=O)N1CCCC(CNC(C)=O)C1
InChIInChI=1S/C18H33N3O2/c1-3-16-8-4-5-9-17(16)12-20-18(23)21-10-6-7-15(13-21)11-19-14(2)22/h15-17H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJUPUKCPUTASPBE-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl]acetamide
CID 139656045
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide
CID 79163504
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
CID 166321650
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide
CID 119746034
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
CID 119301801
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481

Frequently Asked Questions

What is the IUPAC name of 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide (CID 166236584) is 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide is CCC1CCCCC1CNC(=O)N1CCCC(CNC(C)=O)C1.
What is the InChIKey of 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide?
The InChIKey is JUPUKCPUTASPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-3-16-8-4-5-9-17(16)12-20-18(23)21-10-6-7-15(13-21)11-19-14(2)22/h15-17H,3-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide?
3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166236584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).