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

C20H27FN2O2 — CID 24794004

IUPAC1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H27FN2O2/c21-18-8-4-7-16(11-18)12-22-20(25)17-9-10-19(24)23(14-17)13-15-5-2-1-3-6-15/h4,7-8,11,15,17H,1-3,5-6,9-10,12-14H2,(H,22,25)
InChIKeyNTBVRZHWOAHXCM-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.26
Rot. Bonds5

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

1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24794004) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24794004
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H27FN2O2/c21-18-8-4-7-16(11-18)12-22-20(25)17-9-10-19(24)23(14-17)13-15-5-2-1-3-6-15/h4,7-8,11,15,17H,1-3,5-6,9-10,12-14H2,(H,22,25)
InChIKeyNTBVRZHWOAHXCM-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24794004) is 1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is NTBVRZHWOAHXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-8-4-7-16(11-18)12-22-20(25)17-9-10-19(24)23(14-17)13-15-5-2-1-3-6-15/h4,7-8,11,15,17H,1-3,5-6,9-10,12-14H2,(H,22,25).
What are the key properties of 1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).