4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide

C20H35N3O2 — CID 120555118

IUPAC4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-14-13-21-11-10-18(14)23-20(25)16-6-8-17(9-7-16)22-19(24)12-15-4-2-3-5-15/h14-18,21H,2-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyJCSAFHQWHIKDNC-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.36
Rot. Bonds5

About 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide

4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 120555118) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID120555118
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-14-13-21-11-10-18(14)23-20(25)16-6-8-17(9-7-16)22-19(24)12-15-4-2-3-5-15/h14-18,21H,2-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyJCSAFHQWHIKDNC-UHFFFAOYSA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)cyclohexanecarboxamide;hydrochloride
CID 120557474
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119552192
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
N-(3-methylpiperidin-4-yl)oxane-4-carboxamide
CID 79886712
3-cyclopentyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554749
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
1-cyclopropyl-3-(3-methylpiperidin-4-yl)urea
CID 79886101
N-[2-(aminomethyl)cyclohexyl]-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119610772
N-(3,4-dimethylcyclohexyl)-2-piperidin-3-ylacetamide
CID 64743103
N-(2-methylcyclopentyl)-2-piperidin-3-ylacetamide
CID 63281648
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 120555118) is 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide is CC1CNCCC1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1.
What is the InChIKey of 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is JCSAFHQWHIKDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-14-13-21-11-10-18(14)23-20(25)16-6-8-17(9-7-16)22-19(24)12-15-4-2-3-5-15/h14-18,21H,2-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 120555118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).