N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide

C25H29FN2O2 — CID 110243986

IUPACN-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H29FN2O2/c1-2-23(29)28-13-5-12-25(17-28,24(30)27-22-10-11-22)16-18-6-3-7-19(14-18)20-8-4-9-21(26)15-20/h3-4,6-9,14-15,22H,2,5,10-13,16-17H2,1H3,(H,27,30)
InChIKeyZEPXINFQSISYGD-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.33
Rot. Bonds6

About N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide

N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 110243986) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID110243986
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC NameN-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H29FN2O2/c1-2-23(29)28-13-5-12-25(17-28,24(30)27-22-10-11-22)16-18-6-3-7-19(14-18)20-8-4-9-21(26)15-20/h3-4,6-9,14-15,22H,2,5,10-13,16-17H2,1H3,(H,27,30)
InChIKeyZEPXINFQSISYGD-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidine-3-carboxamide
CID 95848804
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584975
(3R)-N-ethyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 92592125
3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110232823
1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110232836
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110243976
N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110229733
1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229548
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92569611

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide (CID 110243986) is N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is ZEPXINFQSISYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-2-23(29)28-13-5-12-25(17-28,24(30)27-22-10-11-22)16-18-6-3-7-19(14-18)20-8-4-9-21(26)15-20/h3-4,6-9,14-15,22H,2,5,10-13,16-17H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 110243986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).