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

C18H23FN2O2 — CID 24817103

IUPAC1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H23FN2O2/c19-15-5-3-4-13(10-15)11-20-18(23)14-8-9-17(22)21(12-14)16-6-1-2-7-16/h3-5,10,14,16H,1-2,6-9,11-12H2,(H,20,23)
InChIKeyDVXVMFBJUWEVFW-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.62
Rot. Bonds4

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

1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817103) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817103
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H23FN2O2/c19-15-5-3-4-13(10-15)11-20-18(23)14-8-9-17(22)21(12-14)16-6-1-2-7-16/h3-5,10,14,16H,1-2,6-9,11-12H2,(H,20,23)
InChIKeyDVXVMFBJUWEVFW-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
(S)-N-(3-(4-(2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415755
N-((1S)-3-(4-(N-ethyl-2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590635
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
2-butyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4437021
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 5136453
N-cyclohexyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497407
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9363380
N-[1-(2-fluorobenzyl)piperidin-3-yl]cyclobutanecarboxamide
CID 23723581

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817103) is 1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DVXVMFBJUWEVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-15-5-3-4-13(10-15)11-20-18(23)14-8-9-17(22)21(12-14)16-6-1-2-7-16/h3-5,10,14,16H,1-2,6-9,11-12H2,(H,20,23).
What are the key properties of 1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).