1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride

C18H27ClN4O2 — CID 120732530

IUPAC1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
SMILESCC(C)(C)N1CC(C(=O)N2CCNCC2c2cccnc2)CC1=O.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-18(2,3)22-12-14(9-16(22)23)17(24)21-8-7-20-11-15(21)13-5-4-6-19-10-13;/h4-6,10,14-15,20H,7-9,11-12H2,1-3H3;1H
InChIKeyYZDOBBVXPCWYCT-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.62
Rot. Bonds2

About 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride

1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride (PubChem CID 120732530) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
PubChem CID120732530
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
SMILESCC(C)(C)N1CC(C(=O)N2CCNCC2c2cccnc2)CC1=O.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-18(2,3)22-12-14(9-16(22)23)17(24)21-8-7-20-11-15(21)13-5-4-6-19-10-13;/h4-6,10,14-15,20H,7-9,11-12H2,1-3H3;1H
InChIKeyYZDOBBVXPCWYCT-UHFFFAOYSA-N
XLogP1.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)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

1-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120729616
1-(4-methylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731706
1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731176
1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731172
1-(3,5-difluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120732465
1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731708
1-tert-butyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120735351
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride (CID 120732530) is 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride is CC(C)(C)N1CC(C(=O)N2CCNCC2c2cccnc2)CC1=O.Cl.
What is the InChIKey of 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is YZDOBBVXPCWYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-18(2,3)22-12-14(9-16(22)23)17(24)21-8-7-20-11-15(21)13-5-4-6-19-10-13;/h4-6,10,14-15,20H,7-9,11-12H2,1-3H3;1H.
What are the key properties of 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride?
1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120732530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).