1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide

C26H27ClN2O3 — CID 45184860

IUPAC1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)C2CCCN(Cc3ccc(O)c(Cl)c3)C2)cc1
InChIInChI=1S/C26H27ClN2O3/c1-32-21-11-9-19(10-12-21)22-6-2-3-7-24(22)28-26(31)20-5-4-14-29(17-20)16-18-8-13-25(30)23(27)15-18/h2-3,6-13,15,20,30H,4-5,14,16-17H2,1H3,(H,28,31)
InChIKeyRFLFASDGHWWOFX-UHFFFAOYSA-N
MW450.97 g/mol
LogP5.57
Rot. Bonds6

About 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide

1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide (PubChem CID 45184860) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
PubChem CID45184860
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC Name1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)C2CCCN(Cc3ccc(O)c(Cl)c3)C2)cc1
InChIInChI=1S/C26H27ClN2O3/c1-32-21-11-9-19(10-12-21)22-6-2-3-7-24(22)28-26(31)20-5-4-14-29(17-20)16-18-8-13-25(30)23(27)15-18/h2-3,6-13,15,20,30H,4-5,14,16-17H2,1H3,(H,28,31)
InChIKeyRFLFASDGHWWOFX-UHFFFAOYSA-N
XLogP5.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45169697
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920044
N-[2-(4-methoxyphenyl)phenyl]-1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxamide
CID 45247760
N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 45186640
(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
CID 42596442
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43921165
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
CID 45228808

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide (CID 45184860) is 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide is COc1ccc(-c2ccccc2NC(=O)C2CCCN(Cc3ccc(O)c(Cl)c3)C2)cc1.
What is the InChIKey of 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is RFLFASDGHWWOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3/c1-32-21-11-9-19(10-12-21)22-6-2-3-7-24(22)28-26(31)20-5-4-14-29(17-20)16-18-8-13-25(30)23(27)15-18/h2-3,6-13,15,20,30H,4-5,14,16-17H2,1H3,(H,28,31).
What are the key properties of 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 450.97 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45184860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).