4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride

C19H32ClN3O2 — CID 119635263

IUPAC4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
SMILESCC1CCC(N2CC(C(=O)N3CCC4CCC(C3)N4)CC2=O)CC1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-13-2-6-17(7-3-13)22-11-14(10-18(22)23)19(24)21-9-8-15-4-5-16(12-21)20-15;/h13-17,20H,2-12H2,1H3;1H
InChIKeyBGOLAEQPQSDXOH-UHFFFAOYSA-N
MW369.94 g/mol
LogP2.19
Rot. Bonds2

About 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride

4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119635263) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
PubChem CID119635263
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC Name4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
SMILESCC1CCC(N2CC(C(=O)N3CCC4CCC(C3)N4)CC2=O)CC1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-13-2-6-17(7-3-13)22-11-14(10-18(22)23)19(24)21-9-8-15-4-5-16(12-21)20-15;/h13-17,20H,2-12H2,1H3;1H
InChIKeyBGOLAEQPQSDXOH-UHFFFAOYSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride 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

4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119377515
(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 125153354
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 119638509
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119661802
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 119638157
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119636918
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119635548
1-cyclopropyl-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43422106

Frequently Asked Questions

What is the IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride (CID 119635263) is 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride is CC1CCC(N2CC(C(=O)N3CCC4CCC(C3)N4)CC2=O)CC1.Cl.
What is the InChIKey of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is BGOLAEQPQSDXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.ClH/c1-13-2-6-17(7-3-13)22-11-14(10-18(22)23)19(24)21-9-8-15-4-5-16(12-21)20-15;/h13-17,20H,2-12H2,1H3;1H.
What are the key properties of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride?
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119635263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).