1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide

C24H28FN3O2 — CID 45250692

IUPAC1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2)c1)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C24H28FN3O2/c25-22-9-2-1-7-19(22)16-28-17-20(10-11-23(28)29)24(30)26-15-18-6-5-8-21(14-18)27-12-3-4-13-27/h1-2,5-9,14,20H,3-4,10-13,15-17H2,(H,26,30)
InChIKeyDHAMPLWGENCHPY-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.48
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 45250692) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID45250692
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2)c1)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C24H28FN3O2/c25-22-9-2-1-7-19(22)16-28-17-20(10-11-23(28)29)24(30)26-15-18-6-5-8-21(14-18)27-12-3-4-13-27/h1-2,5-9,14,20H,3-4,10-13,15-17H2,(H,26,30)
InChIKeyDHAMPLWGENCHPY-UHFFFAOYSA-N
XLogP3.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
CID 51903346
1-[(2-fluorophenyl)methyl]-6-oxo-N-(4-pyrrolidin-1-ylbutyl)piperidine-3-carboxamide
CID 72852888
(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 42304508
(3R)-N-[3-[cyclopentyl(methyl)amino]propyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25281331
(3S)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxopiperidine-3-carboxamide
CID 25366722
(3S)-1-[(2-fluorophenyl)methyl]-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-6-oxopiperidine-3-carboxamide
CID 97114771
1-(2-fluorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 39515806
N-[(2-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183420
(3R)-1-[(3-fluorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 42591232
N-[(2-fluorophenyl)methyl]-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189868
1-[(2-fluorophenyl)methyl]-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 24790737
(3S)-N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017732

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide (CID 45250692) is 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide is O=C(NCc1cccc(N2CCCC2)c1)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DHAMPLWGENCHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-22-9-2-1-7-19(22)16-28-17-20(10-11-23(28)29)24(30)26-15-18-6-5-8-21(14-18)27-12-3-4-13-27/h1-2,5-9,14,20H,3-4,10-13,15-17H2,(H,26,30).
What are the key properties of 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45250692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).