4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one

C25H32N4O2 — CID 131948891

IUPAC4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCc1cccnc1CN1CCN(C(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)CC1
InChIInChI=1S/C25H32N4O2/c1-18(2)20-6-8-22(9-7-20)29-16-21(15-24(29)30)25(31)28-13-11-27(12-14-28)17-23-19(3)5-4-10-26-23/h4-10,18,21H,11-17H2,1-3H3
InChIKeyGRJXOCYMJWHIEL-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.21
Rot. Bonds5

About 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one

4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 131948891) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID131948891
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCc1cccnc1CN1CCN(C(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)CC1
InChIInChI=1S/C25H32N4O2/c1-18(2)20-6-8-22(9-7-20)29-16-21(15-24(29)30)25(31)28-13-11-27(12-14-28)17-23-19(3)5-4-10-26-23/h4-10,18,21H,11-17H2,1-3H3
InChIKeyGRJXOCYMJWHIEL-UHFFFAOYSA-N
XLogP3.21
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one with MolForge

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Related Compounds

cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 131902488
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
1-(4-methylsulfanylphenyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43072731
1-(4-methoxyphenyl)-4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 55567255
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 131918137
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 97149949
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 42881988
4-(4-ethylpiperazine-1-carbonyl)-1-pyridin-3-ylpyrrolidin-2-one
CID 110684478

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (CID 131948891) is 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is Cc1cccnc1CN1CCN(C(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)CC1.
What is the InChIKey of 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is GRJXOCYMJWHIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18(2)20-6-8-22(9-7-20)29-16-21(15-24(29)30)25(31)28-13-11-27(12-14-28)17-23-19(3)5-4-10-26-23/h4-10,18,21H,11-17H2,1-3H3.
What are the key properties of 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 420.56 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 131948891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).