(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide

C24H29FN2O3 — CID 92609375

IUPAC(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)CCOC)C1
InChIInChI=1S/C24H29FN2O3/c1-26-23(29)24(13-5-14-27(17-24)22(28)12-15-30-2)16-18-8-10-19(11-9-18)20-6-3-4-7-21(20)25/h3-4,6-11H,5,12-17H2,1-2H3,(H,26,29)/t24-/m1/s1
InChIKeyGWOMXNPNEOFAJQ-XMMPIXPASA-N
MW412.51 g/mol
LogP3.43
Rot. Bonds7

About (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide

(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 92609375) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide
PubChem CID92609375
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)CCOC)C1
InChIInChI=1S/C24H29FN2O3/c1-26-23(29)24(13-5-14-27(17-24)22(28)12-15-30-2)16-18-8-10-19(11-9-18)20-6-3-4-7-21(20)25/h3-4,6-11H,5,12-17H2,1-2H3,(H,26,29)/t24-/m1/s1
InChIKeyGWOMXNPNEOFAJQ-XMMPIXPASA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
CID 110232546
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585108
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypropanoyl)piperidine-3-carboxylate
CID 42346729
4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620773
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591824
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585095
1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 95805713
(3S)-1-(2-methoxyacetyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92579626
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
(3S)-1-butanoyl-N-methyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586365

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide (CID 92609375) is (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)CCOC)C1.
What is the InChIKey of (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is GWOMXNPNEOFAJQ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-26-23(29)24(13-5-14-27(17-24)22(28)12-15-30-2)16-18-8-10-19(11-9-18)20-6-3-4-7-21(20)25/h3-4,6-11H,5,12-17H2,1-2H3,(H,26,29)/t24-/m1/s1.
What are the key properties of (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide?
(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 92609375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).