(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide

C22H25FN2O2 — CID 92585108

IUPAC(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1
InChIInChI=1S/C22H25FN2O2/c1-2-20(26)25-13-5-12-22(15-25,21(24)27)14-16-8-10-17(11-9-16)18-6-3-4-7-19(18)23/h3-4,6-11H,2,5,12-15H2,1H3,(H2,24,27)/t22-/m0/s1
InChIKeySIPXRMDVIITXLZ-QFIPXVFZSA-N
MW368.45 g/mol
LogP3.54
Rot. Bonds5

About (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 92585108) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID92585108
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1
InChIInChI=1S/C22H25FN2O2/c1-2-20(26)25-13-5-12-22(15-25,21(24)27)14-16-8-10-17(11-9-16)18-6-3-4-7-19(18)23/h3-4,6-11H,2,5,12-15H2,1H3,(H2,24,27)/t22-/m0/s1
InChIKeySIPXRMDVIITXLZ-QFIPXVFZSA-N
XLogP3.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
CID 92573903
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92573899
3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
CID 110232546
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591824
(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide
CID 92609375
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
(3S)-1-butanoyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586361
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92604986
(3R)-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92584958
(3S)-3-[(4-phenylphenyl)methyl]-1-propanoyl-N-prop-2-enylpiperidine-3-carboxamide
CID 92585106
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605039

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide (CID 92585108) is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1.
What is the InChIKey of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is SIPXRMDVIITXLZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-2-20(26)25-13-5-12-22(15-25,21(24)27)14-16-8-10-17(11-9-16)18-6-3-4-7-19(18)23/h3-4,6-11H,2,5,12-15H2,1H3,(H2,24,27)/t22-/m0/s1.
What are the key properties of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 92585108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).