N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide

C21H37N3O2 — CID 46381882

IUPACN-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCCC1)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H37N3O2/c25-20(16-18-6-4-5-7-18)22-13-10-17-11-14-24(15-12-17)21(26)23-19-8-2-1-3-9-19/h17-19H,1-16H2,(H,22,25)(H,23,26)
InChIKeyJBKPISPDWAWTHP-UHFFFAOYSA-N
MW363.55 g/mol
LogP3.83
Rot. Bonds6

About N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide (PubChem CID 46381882) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide
PubChem CID46381882
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC NameN-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCCC1)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H37N3O2/c25-20(16-18-6-4-5-7-18)22-13-10-17-11-14-24(15-12-17)21(26)23-19-8-2-1-3-9-19/h17-19H,1-16H2,(H,22,25)(H,23,26)
InChIKeyJBKPISPDWAWTHP-UHFFFAOYSA-N
XLogP3.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide (CID 46381882) is N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide is O=C(CC1CCCC1)NCCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide?
The InChIKey is JBKPISPDWAWTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c25-20(16-18-6-4-5-7-18)22-13-10-17-11-14-24(15-12-17)21(26)23-19-8-2-1-3-9-19/h17-19H,1-16H2,(H,22,25)(H,23,26).
What are the key properties of N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide has a molecular weight of 363.55 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[(2-cyclopentylacetyl)amino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).