(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide

C23H27FN2O — CID 92996067

IUPAC(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc([C@@H]2C[C@@H](C(=O)NC3CC3)CN(Cc3ccccc3F)C2)c1
InChIInChI=1S/C23H27FN2O/c1-16-5-4-7-17(11-16)19-12-20(23(27)25-21-9-10-21)15-26(14-19)13-18-6-2-3-8-22(18)24/h2-8,11,19-21H,9-10,12-15H2,1H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyKNEISNJTZDCOMU-WOJBJXKFSA-N
MW366.48 g/mol
LogP4.02
Rot. Bonds5

About (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide

(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 92996067) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID92996067
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc([C@@H]2C[C@@H](C(=O)NC3CC3)CN(Cc3ccccc3F)C2)c1
InChIInChI=1S/C23H27FN2O/c1-16-5-4-7-17(11-16)19-12-20(23(27)25-21-9-10-21)15-26(14-19)13-18-6-2-3-8-22(18)24/h2-8,11,19-21H,9-10,12-15H2,1H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyKNEISNJTZDCOMU-WOJBJXKFSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996062
(3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 92996048
(3R,5S)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 92996047
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46065513
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
(3S,5S)-1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92997354
N-[(3S,4R)-1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70718143
1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 42865550
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
(3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 92996685

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide (CID 92996067) is (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide is Cc1cccc([C@@H]2C[C@@H](C(=O)NC3CC3)CN(Cc3ccccc3F)C2)c1.
What is the InChIKey of (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is KNEISNJTZDCOMU-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-16-5-4-7-17(11-16)19-12-20(23(27)25-21-9-10-21)15-26(14-19)13-18-6-2-3-8-22(18)24/h2-8,11,19-21H,9-10,12-15H2,1H3,(H,25,27)/t19-,20-/m1/s1.
What are the key properties of (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92996067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).