N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide

C23H30N2O4 — CID 162790407

IUPACN-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1C(c2ccccc2)N(Cc2cccc(OC)c2)CCC1(C)O
InChIInChI=1S/C23H30N2O4/c1-23(27)12-13-25(15-17-8-7-11-19(14-17)29-3)21(18-9-5-4-6-10-18)22(23)24-20(26)16-28-2/h4-11,14,21-22,27H,12-13,15-16H2,1-3H3,(H,24,26)
InChIKeyXTCWWAGIZYHYJO-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.52
Rot. Bonds7

About N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide

N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide (PubChem CID 162790407) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide
PubChem CID162790407
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1C(c2ccccc2)N(Cc2cccc(OC)c2)CCC1(C)O
InChIInChI=1S/C23H30N2O4/c1-23(27)12-13-25(15-17-8-7-11-19(14-17)29-3)21(18-9-5-4-6-10-18)22(23)24-20(26)16-28-2/h4-11,14,21-22,27H,12-13,15-16H2,1-3H3,(H,24,26)
InChIKeyXTCWWAGIZYHYJO-UHFFFAOYSA-N
XLogP2.52
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 125418306
[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134709769
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
CID 162790477
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 45208072
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 163073903
4-[(3-methoxyphenyl)methyl]thiomorpholine-3-carboxylic acid
CID 82906012
1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one
CID 10063941
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide (CID 162790407) is N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1C(c2ccccc2)N(Cc2cccc(OC)c2)CCC1(C)O.
What is the InChIKey of N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide?
The InChIKey is XTCWWAGIZYHYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-23(27)12-13-25(15-17-8-7-11-19(14-17)29-3)21(18-9-5-4-6-10-18)22(23)24-20(26)16-28-2/h4-11,14,21-22,27H,12-13,15-16H2,1-3H3,(H,24,26).
What are the key properties of N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide?
N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide has a molecular weight of 398.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 162790407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).