N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide

C27H30N2O3 — CID 70045573

IUPACN-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide
SMILESO=C(NCCN1CCC(O)(c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H30N2O3/c30-26(23-11-13-25(14-12-23)32-21-22-7-3-1-4-8-22)28-17-20-29-18-15-27(31,16-19-29)24-9-5-2-6-10-24/h1-14,31H,15-21H2,(H,28,30)
InChIKeyMMNZXJFFKADCQV-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.98
Rot. Bonds8

About N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide

N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide (PubChem CID 70045573) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide
PubChem CID70045573
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide
SMILESO=C(NCCN1CCC(O)(c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H30N2O3/c30-26(23-11-13-25(14-12-23)32-21-22-7-3-1-4-8-22)28-17-20-29-18-15-27(31,16-19-29)24-9-5-2-6-10-24/h1-14,31H,15-21H2,(H,28,30)
InChIKeyMMNZXJFFKADCQV-UHFFFAOYSA-N
XLogP3.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
CID 46965108
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
4-phenylmethoxy-N-[12-[16-[12-[(4-phenylmethoxybenzoyl)amino]dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecyl]benzamide
CID 102394555
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
2-[4-hydroxy-4-[4-(methoxymethyl)phenyl]piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethanone
CID 69451649
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
4-phenylmethoxy-N-propylbenzamide
CID 4958389
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
CID 23294468
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide (CID 70045573) is N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide is O=C(NCCN1CCC(O)(c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide?
The InChIKey is MMNZXJFFKADCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c30-26(23-11-13-25(14-12-23)32-21-22-7-3-1-4-8-22)28-17-20-29-18-15-27(31,16-19-29)24-9-5-2-6-10-24/h1-14,31H,15-21H2,(H,28,30).
What are the key properties of N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide?
N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide has a molecular weight of 430.55 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 70045573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).