(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride

C25H33ClN4O2 — CID 141370952

IUPAC(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride
SMILESCc1cc(C(C)C)cnc1N1CCN(C(=O)c2ccc([C@@H]3C(=O)NCC3C)cc2)CC1.Cl
InChIInChI=1S/C25H32N4O2.ClH/c1-16(2)21-13-17(3)23(26-15-21)28-9-11-29(12-10-28)25(31)20-7-5-19(6-8-20)22-18(4)14-27-24(22)30;/h5-8,13,15-16,18,22H,9-12,14H2,1-4H3,(H,27,30);1H/t18?,22-;/m1./s1
InChIKeyPSRUGADXAQHQDA-HDNPKDEKSA-N
MW457.02 g/mol
LogP3.75
Rot. Bonds4

About (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride

(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride (PubChem CID 141370952) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride
PubChem CID141370952
Molecular FormulaC25H33ClN4O2
Molecular Weight457.02 g/mol
Exact Mass456.23
IUPAC Name(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride
SMILESCc1cc(C(C)C)cnc1N1CCN(C(=O)c2ccc([C@@H]3C(=O)NCC3C)cc2)CC1.Cl
InChIInChI=1S/C25H32N4O2.ClH/c1-16(2)21-13-17(3)23(26-15-21)28-9-11-29(12-10-28)25(31)20-7-5-19(6-8-20)22-18(4)14-27-24(22)30;/h5-8,13,15-16,18,22H,9-12,14H2,1-4H3,(H,27,30);1H/t18?,22-;/m1./s1
InChIKeyPSRUGADXAQHQDA-HDNPKDEKSA-N
XLogP3.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.02
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]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

(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370811
(3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one
CID 141370659
(3R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one
CID 141370941
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370606
(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370594
1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one
CID 141370658
1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one
CID 141370817
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one
CID 141370907
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one
CID 141370707
(3R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370680
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
CID 141370646

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride (CID 141370952) is (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride is Cc1cc(C(C)C)cnc1N1CCN(C(=O)c2ccc([C@@H]3C(=O)NCC3C)cc2)CC1.Cl.
What is the InChIKey of (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is PSRUGADXAQHQDA-HDNPKDEKSA-N. The full InChI is InChI=1S/C25H32N4O2.ClH/c1-16(2)21-13-17(3)23(26-15-21)28-9-11-29(12-10-28)25(31)20-7-5-19(6-8-20)22-18(4)14-27-24(22)30;/h5-8,13,15-16,18,22H,9-12,14H2,1-4H3,(H,27,30);1H/t18?,22-;/m1./s1.
What are the key properties of (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride?
(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 457.02 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 141370952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).