(4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone

C24H30N2O2 — CID 119064582

IUPAC(4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone
SMILESO=C(c1cccc(-c2ccccc2CO)c1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C24H30N2O2/c27-18-21-7-1-4-12-23(21)19-8-5-9-20(17-19)24(28)26-14-6-13-25(15-16-26)22-10-2-3-11-22/h1,4-5,7-9,12,17,22,27H,2-3,6,10-11,13-16,18H2
InChIKeyNICXTQIIILFJJI-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.94
Rot. Bonds4

About (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone

(4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone (PubChem CID 119064582) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone
PubChem CID119064582
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone
SMILESO=C(c1cccc(-c2ccccc2CO)c1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C24H30N2O2/c27-18-21-7-1-4-12-23(21)19-8-5-9-20(17-19)24(28)26-14-6-13-25(15-16-26)22-10-2-3-11-22/h1,4-5,7-9,12,17,22,27H,2-3,6,10-11,13-16,18H2
InChIKeyNICXTQIIILFJJI-UHFFFAOYSA-N
XLogP3.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone 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

[3-[2-(hydroxymethyl)phenyl]phenyl]-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone
CID 119058395
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
CID 119069105
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
CID 134020797
[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone
CID 45210373
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone?
The IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone (CID 119064582) is (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone.
What is the SMILES notation for (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone?
The canonical SMILES for (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone is O=C(c1cccc(-c2ccccc2CO)c1)N1CCCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone?
The InChIKey is NICXTQIIILFJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-18-21-7-1-4-12-23(21)19-8-5-9-20(17-19)24(28)26-14-6-13-25(15-16-26)22-10-2-3-11-22/h1,4-5,7-9,12,17,22,27H,2-3,6,10-11,13-16,18H2.
What are the key properties of (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone?
(4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 119064582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).