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

C24H30N4O2 — CID 131902488

IUPAC4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCc1cnccc1N1CCN(C(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)CC1
InChIInChI=1S/C24H30N4O2/c1-17(2)19-4-6-21(7-5-19)28-16-20(14-23(28)29)24(30)27-12-10-26(11-13-27)22-8-9-25-15-18(22)3/h4-9,15,17,20H,10-14,16H2,1-3H3
InChIKeyXUOMTJODNCDMRN-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.22
Rot. Bonds4

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

4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 131902488) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID131902488
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCc1cnccc1N1CCN(C(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)CC1
InChIInChI=1S/C24H30N4O2/c1-17(2)19-4-6-21(7-5-19)28-16-20(14-23(28)29)24(30)27-12-10-26(11-13-27)22-8-9-25-15-18(22)3/h4-9,15,17,20H,10-14,16H2,1-3H3
InChIKeyXUOMTJODNCDMRN-UHFFFAOYSA-N
XLogP3.22
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 131948891
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 97149949
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 42881988
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17081842
(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 97242543
(3S)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate
CID 6936682
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 155938836

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (CID 131902488) is 4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is Cc1cnccc1N1CCN(C(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)CC1.
What is the InChIKey of 4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is XUOMTJODNCDMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17(2)19-4-6-21(7-5-19)28-16-20(14-23(28)29)24(30)27-12-10-26(11-13-27)22-8-9-25-15-18(22)3/h4-9,15,17,20H,10-14,16H2,1-3H3.
What are the key properties of 4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 131902488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).