(3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide

C23H29FN2O2 — CID 94020490

IUPAC(3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H29FN2O2/c1-28-22-9-3-2-6-19(22)7-4-14-25-23(27)20-8-5-15-26(17-20)16-18-10-12-21(24)13-11-18/h2-3,6,9-13,20H,4-5,7-8,14-17H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyNGOPAKPWMBTWIG-HXUWFJFHSA-N
MW384.50 g/mol
LogP3.80
Rot. Bonds8

About (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide

(3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide (PubChem CID 94020490) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
PubChem CID94020490
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name(3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H29FN2O2/c1-28-22-9-3-2-6-19(22)7-4-14-25-23(27)20-8-5-15-26(17-20)16-18-10-12-21(24)13-11-18/h2-3,6,9-13,20H,4-5,7-8,14-17H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyNGOPAKPWMBTWIG-HXUWFJFHSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 94020491
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46765225
(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide
CID 94020473
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
(3R)-1-[(4-fluorophenyl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94015942
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100652424
1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 46775234
(3S)-1-[(4-chlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100777606
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 38103352
1-[(2-chlorophenyl)methyl]-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 132664361
(3R)-N-[3-(2-ethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669289

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide (CID 94020490) is (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide is COc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is NGOPAKPWMBTWIG-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-28-22-9-3-2-6-19(22)7-4-14-25-23(27)20-8-5-15-26(17-20)16-18-10-12-21(24)13-11-18/h2-3,6,9-13,20H,4-5,7-8,14-17H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide?
(3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 94020490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).