1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide

C22H31FN2O2 — CID 24793012

IUPAC1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C22H31FN2O2/c23-20-11-8-17(9-12-20)7-4-14-24-22(27)19-10-13-21(26)25(16-19)15-18-5-2-1-3-6-18/h8-9,11-12,18-19H,1-7,10,13-16H2,(H,24,27)
InChIKeySSAYMPRTINNLQR-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.69
Rot. Bonds7

About 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24793012) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide
PubChem CID24793012
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC Name1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C22H31FN2O2/c23-20-11-8-17(9-12-20)7-4-14-24-22(27)19-10-13-21(26)25(16-19)15-18-5-2-1-3-6-18/h8-9,11-12,18-19H,1-7,10,13-16H2,(H,24,27)
InChIKeySSAYMPRTINNLQR-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide (CID 24793012) is 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide is O=C(NCCCc1ccc(F)cc1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is SSAYMPRTINNLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c23-20-11-8-17(9-12-20)7-4-14-24-22(27)19-10-13-21(26)25(16-19)15-18-5-2-1-3-6-18/h8-9,11-12,18-19H,1-7,10,13-16H2,(H,24,27).
What are the key properties of 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[3-(4-fluorophenyl)propyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).