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

C16H19FN2O2 — CID 24818881

IUPAC1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C16H19FN2O2/c17-13-3-1-2-11(8-13)9-18-16(21)12-4-7-15(20)19(10-12)14-5-6-14/h1-3,8,12,14H,4-7,9-10H2,(H,18,21)
InChIKeyIBQIBAPMQMDIQL-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.84
Rot. Bonds4

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

1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24818881) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24818881
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C16H19FN2O2/c17-13-3-1-2-11(8-13)9-18-16(21)12-4-7-15(20)19(10-12)14-5-6-14/h1-3,8,12,14H,4-7,9-10H2,(H,18,21)
InChIKeyIBQIBAPMQMDIQL-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6102824
(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-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
2-butyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4437021
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 16283470
N-[1-(2-fluorobenzyl)piperidin-3-yl]cyclobutanecarboxamide
CID 23723581
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-cyclopropyl-N-(3-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794298
N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24817458
N,N'-bis(4-fluorobenzyl)pentanediamide
CID 2165956

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24818881) is 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is IBQIBAPMQMDIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-13-3-1-2-11(8-13)9-18-16(21)12-4-7-15(20)19(10-12)14-5-6-14/h1-3,8,12,14H,4-7,9-10H2,(H,18,21).
What are the key properties of 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24818881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).