cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone

C20H27N3O2 — CID 71933736

IUPACcyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone
SMILESCN1CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)Cc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-21-11-12-23(13-16-5-2-3-7-18(16)21)20(25)17-6-4-10-22(14-17)19(24)15-8-9-15/h2-3,5,7,15,17H,4,6,8-14H2,1H3
InChIKeyPNXOCFHHGHMQGU-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.11
Rot. Bonds2

About cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone

cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone (PubChem CID 71933736) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone
PubChem CID71933736
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Namecyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone
SMILESCN1CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)Cc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-21-11-12-23(13-16-5-2-3-7-18(16)21)20(25)17-6-4-10-22(14-17)19(24)15-8-9-15/h2-3,5,7,15,17H,4,6,8-14H2,1H3
InChIKeyPNXOCFHHGHMQGU-UHFFFAOYSA-N
XLogP2.11
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-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

methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
1-[10-(cyclohexanecarbonyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]-3-methylbutan-1-one
CID 133066044
cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone
CID 56786660
1-[3-(2-benzyl-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-11-carbonyl)azetidin-1-yl]ethanone
CID 133073564
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
1-[3-(cyclohexanecarbonyl)-18-methyl-3,11,18-triazatricyclo[12.3.1.05,10]octadeca-5,7,9-trien-11-yl]propan-1-one
CID 110071824
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
CID 97193702

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone (CID 71933736) is cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone is CN1CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)Cc2ccccc21.
What is the InChIKey of cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone?
The InChIKey is PNXOCFHHGHMQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-21-11-12-23(13-16-5-2-3-7-18(16)21)20(25)17-6-4-10-22(14-17)19(24)15-8-9-15/h2-3,5,7,15,17H,4,6,8-14H2,1H3.
What are the key properties of cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone?
cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone has a molecular weight of 341.45 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71933736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).