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

C23H30N2O3 — CID 87000052

IUPAC4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCC(C(O)c2ccccc2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C23H30N2O3/c1-3-21(17-9-11-20(28-2)12-10-17)24-23(27)25-15-13-19(14-16-25)22(26)18-7-5-4-6-8-18/h4-12,19,21-22,26H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyCZEXEHIUOIFEPL-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.30
Rot. Bonds6

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

4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide (PubChem CID 87000052) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
PubChem CID87000052
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCC(C(O)c2ccccc2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C23H30N2O3/c1-3-21(17-9-11-20(28-2)12-10-17)24-23(27)25-15-13-19(14-16-25)22(26)18-7-5-4-6-8-18/h4-12,19,21-22,26H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyCZEXEHIUOIFEPL-UHFFFAOYSA-N
XLogP4.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122022013
4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide
CID 111482912
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 110882626
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide
CID 97248693
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol
CID 67899203
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide (CID 87000052) is 4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide is CCC(NC(=O)N1CCC(C(O)c2ccccc2)CC1)c1ccc(OC)cc1.
What is the InChIKey of 4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide?
The InChIKey is CZEXEHIUOIFEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-21(17-9-11-20(28-2)12-10-17)24-23(27)25-15-13-19(14-16-25)22(26)18-7-5-4-6-8-18/h4-12,19,21-22,26H,3,13-16H2,1-2H3,(H,24,27).
What are the key properties of 4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide?
4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 87000052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).