1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide

C27H30N2O3 — CID 26321068

IUPAC1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCOc1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)ccc1O
InChIInChI=1S/C27H30N2O3/c1-19-4-3-5-23(16-19)21-7-9-24(10-8-21)28-27(31)22-12-14-29(15-13-22)18-20-6-11-25(30)26(17-20)32-2/h3-11,16-17,22,30H,12-15,18H2,1-2H3,(H,28,31)
InChIKeyCGKWDGSFHCQUFY-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.23
Rot. Bonds6

About 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide

1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 26321068) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
PubChem CID26321068
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCOc1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)ccc1O
InChIInChI=1S/C27H30N2O3/c1-19-4-3-5-23(16-19)21-7-9-24(10-8-21)28-27(31)22-12-14-29(15-13-22)18-20-6-11-25(30)26(17-20)32-2/h3-11,16-17,22,30H,12-15,18H2,1-2H3,(H,28,31)
InChIKeyCGKWDGSFHCQUFY-UHFFFAOYSA-N
XLogP5.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 167387723
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26399704
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45012095
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42192300
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
methyl 2-[[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carbonyl]amino]-4-methylpentanoate
CID 3626863
(4-benzylpiperazin-1-yl)-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 1096570

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (CID 26321068) is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is COc1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)ccc1O.
What is the InChIKey of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is CGKWDGSFHCQUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-19-4-3-5-23(16-19)21-7-9-24(10-8-21)28-27(31)22-12-14-29(15-13-22)18-20-6-11-25(30)26(17-20)32-2/h3-11,16-17,22,30H,12-15,18H2,1-2H3,(H,28,31).
What are the key properties of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 26321068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).