(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide

C27H29FN2O — CID 92984791

IUPAC(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C27H29FN2O/c28-25-14-11-22(12-15-25)19-30-20-24(13-16-26(30)23-9-5-2-6-10-23)27(31)29-18-17-21-7-3-1-4-8-21/h1-12,14-15,24,26H,13,16-20H2,(H,29,31)/t24-,26-/m1/s1
InChIKeyLIWJIDCQTAQKBS-AOYPEHQESA-N
MW416.54 g/mol
LogP5.14
Rot. Bonds7

About (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide

(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 92984791) has the molecular formula C27H29FN2O and a molecular weight of 416.54 g/mol. Its IUPAC name is (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID92984791
Molecular FormulaC27H29FN2O
Molecular Weight416.54 g/mol
Exact Mass416.23
IUPAC Name(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C27H29FN2O/c28-25-14-11-22(12-15-25)19-30-20-24(13-16-26(30)23-9-5-2-6-10-23)27(31)29-18-17-21-7-3-1-4-8-21/h1-12,14-15,24,26H,13,16-20H2,(H,29,31)/t24-,26-/m1/s1
InChIKeyLIWJIDCQTAQKBS-AOYPEHQESA-N
XLogP5.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 92984850
(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
CID 98754943
N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 42868602
1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93000723
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
(3S)-1-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 1445004
1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
CID 42869809
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
1-[4-[(3S)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-3-N,4-N-bis[2-(4-fluorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 145434388

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide (CID 92984791) is (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is LIWJIDCQTAQKBS-AOYPEHQESA-N. The full InChI is InChI=1S/C27H29FN2O/c28-25-14-11-22(12-15-25)19-30-20-24(13-16-26(30)23-9-5-2-6-10-23)27(31)29-18-17-21-7-3-1-4-8-21/h1-12,14-15,24,26H,13,16-20H2,(H,29,31)/t24-,26-/m1/s1.
What are the key properties of (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92984791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).