(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone

C23H28N2O2 — CID 11175983

IUPAC(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C23H28N2O2/c26-23(25-14-6-13-24(15-16-25)21-10-5-11-21)20-9-4-12-22(17-20)27-18-19-7-2-1-3-8-19/h1-4,7-9,12,17,21H,5-6,10-11,13-16,18H2
InChIKeyZSDQQGURGXOVRF-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.97
Rot. Bonds5

About (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone

(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone (PubChem CID 11175983) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
PubChem CID11175983
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C23H28N2O2/c26-23(25-14-6-13-24(15-16-25)21-10-5-11-21)20-9-4-12-22(17-20)27-18-19-7-2-1-3-8-19/h1-4,7-9,12,17,21H,5-6,10-11,13-16,18H2
InChIKeyZSDQQGURGXOVRF-UHFFFAOYSA-N
XLogP3.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)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-phenylmethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617761
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
(4-cyclopentylpiperazin-1-yl)-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 134020443
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462347
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone
CID 141168468

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone (CID 11175983) is (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone is O=C(c1cccc(OCc2ccccc2)c1)N1CCCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone?
The InChIKey is ZSDQQGURGXOVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(25-14-6-13-24(15-16-25)21-10-5-11-21)20-9-4-12-22(17-20)27-18-19-7-2-1-3-8-19/h1-4,7-9,12,17,21H,5-6,10-11,13-16,18H2.
What are the key properties of (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone?
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone has a molecular weight of 364.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 11175983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).