azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone

C21H30N2O2 — CID 134029841

IUPACazepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1C
InChIInChI=1S/C21H30N2O2/c1-16-8-7-9-19(17(16)2)21(25)23-14-10-18(11-15-23)20(24)22-12-5-3-4-6-13-22/h7-9,18H,3-6,10-15H2,1-2H3
InChIKeyFAZUIRCTOFRLCU-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.56
Rot. Bonds2

About azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone

azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone (PubChem CID 134029841) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
PubChem CID134029841
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Nameazepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1C
InChIInChI=1S/C21H30N2O2/c1-16-8-7-9-19(17(16)2)21(25)23-14-10-18(11-15-23)20(24)22-12-5-3-4-6-13-22/h7-9,18H,3-6,10-15H2,1-2H3
InChIKeyFAZUIRCTOFRLCU-UHFFFAOYSA-N
XLogP3.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]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

[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490689
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560822
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
CID 40880014
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone (CID 134029841) is azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone is Cc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1C.
What is the InChIKey of azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is FAZUIRCTOFRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-8-7-9-19(17(16)2)21(25)23-14-10-18(11-15-23)20(24)22-12-5-3-4-6-13-22/h7-9,18H,3-6,10-15H2,1-2H3.
What are the key properties of azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 342.48 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 134029841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).