azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone

C22H31N3O3 — CID 109139041

IUPACazepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CC2C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C22H31N3O3/c1-28-20-9-5-4-8-19(20)23-12-14-25(15-13-23)22(27)18-16-17(18)21(26)24-10-6-2-3-7-11-24/h4-5,8-9,17-18H,2-3,6-7,10-16H2,1H3
InChIKeyLTAUFFSMISLSGV-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.38
Rot. Bonds4

About azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone

azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone (PubChem CID 109139041) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
PubChem CID109139041
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Nameazepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CC2C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C22H31N3O3/c1-28-20-9-5-4-8-19(20)23-12-14-25(15-13-23)22(27)18-16-17(18)21(26)24-10-6-2-3-7-11-24/h4-5,8-9,17-18H,2-3,6-7,10-16H2,1H3
InChIKeyLTAUFFSMISLSGV-UHFFFAOYSA-N
XLogP2.38
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]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

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 109130680
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109131658
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 109139044
[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 41024311
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131851
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 1030634

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone?
The IUPAC name of azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone (CID 109139041) is azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone.
What is the SMILES notation for azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone?
The canonical SMILES for azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone is COc1ccccc1N1CCN(C(=O)C2CC2C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone?
The InChIKey is LTAUFFSMISLSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-28-20-9-5-4-8-19(20)23-12-14-25(15-13-23)22(27)18-16-17(18)21(26)24-10-6-2-3-7-11-24/h4-5,8-9,17-18H,2-3,6-7,10-16H2,1H3.
What are the key properties of azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone?
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone has a molecular weight of 385.51 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone is sourced from PubChem (CID 109139041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).