4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide

C21H37N3O2 — CID 46381861

IUPAC4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NCCC1CCN(C(=O)NC2CCCCC2)CC1)C1CCCCC1
InChIInChI=1S/C21H37N3O2/c25-20(18-7-3-1-4-8-18)22-14-11-17-12-15-24(16-13-17)21(26)23-19-9-5-2-6-10-19/h17-19H,1-16H2,(H,22,25)(H,23,26)
InChIKeyLQWNEQBOWVQWTI-UHFFFAOYSA-N
MW363.55 g/mol
LogP3.83
Rot. Bonds5

About 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide

4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 46381861) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide
PubChem CID46381861
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NCCC1CCN(C(=O)NC2CCCCC2)CC1)C1CCCCC1
InChIInChI=1S/C21H37N3O2/c25-20(18-7-3-1-4-8-18)22-14-11-17-12-15-24(16-13-17)21(26)23-19-9-5-2-6-10-19/h17-19H,1-16H2,(H,22,25)(H,23,26)
InChIKeyLQWNEQBOWVQWTI-UHFFFAOYSA-N
XLogP3.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide (CID 46381861) is 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide is O=C(NCCC1CCN(C(=O)NC2CCCCC2)CC1)C1CCCCC1.
What is the InChIKey of 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is LQWNEQBOWVQWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c25-20(18-7-3-1-4-8-18)22-14-11-17-12-15-24(16-13-17)21(26)23-19-9-5-2-6-10-19/h17-19H,1-16H2,(H,22,25)(H,23,26).
What are the key properties of 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 363.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexanecarbonylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 46381861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).