(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide

C26H27ClN2O2 — CID 93491646

IUPAC(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C26H27ClN2O2/c27-25-11-5-4-9-21(25)17-29-16-6-10-22(18-29)26(30)28-23-12-14-24(15-13-23)31-19-20-7-2-1-3-8-20/h1-5,7-9,11-15,22H,6,10,16-19H2,(H,28,30)/t22-/m0/s1
InChIKeyAJMSKNCBUMLIGH-QFIPXVFZSA-N
MW434.97 g/mol
LogP5.77
Rot. Bonds7

About (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide

(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide (PubChem CID 93491646) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
PubChem CID93491646
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C26H27ClN2O2/c27-25-11-5-4-9-21(25)17-29-16-6-10-22(18-29)26(30)28-23-12-14-24(15-13-23)31-19-20-7-2-1-3-8-20/h1-5,7-9,11-15,22H,6,10,16-19H2,(H,28,30)/t22-/m0/s1
InChIKeyAJMSKNCBUMLIGH-QFIPXVFZSA-N
XLogP5.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
1-[(2-chlorophenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide
CID 43922460
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924997
1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 43925362

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide (CID 93491646) is (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is AJMSKNCBUMLIGH-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c27-25-11-5-4-9-21(25)17-29-16-6-10-22(18-29)26(30)28-23-12-14-24(15-13-23)31-19-20-7-2-1-3-8-20/h1-5,7-9,11-15,22H,6,10,16-19H2,(H,28,30)/t22-/m0/s1.
What are the key properties of (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide?
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 434.97 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93491646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).