(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride

C27H35ClN4O2 — CID 141370811

IUPAC(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride
SMILESCc1cc(C2CCCC2)cnc1N1CCN(C(=O)c2ccc([C@@H]3C(=O)NCC3C)cc2)CC1.Cl
InChIInChI=1S/C27H34N4O2.ClH/c1-18-15-23(20-5-3-4-6-20)17-28-25(18)30-11-13-31(14-12-30)27(33)22-9-7-21(8-10-22)24-19(2)16-29-26(24)32;/h7-10,15,17,19-20,24H,3-6,11-14,16H2,1-2H3,(H,29,32);1H/t19?,24-;/m1./s1
InChIKeyBLFHKFQRXAMXML-MBXXSUCOSA-N
MW483.06 g/mol
LogP4.28
Rot. Bonds4

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

(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride (PubChem CID 141370811) has the molecular formula C27H35ClN4O2 and a molecular weight of 483.06 g/mol. Its IUPAC name is (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride
PubChem CID141370811
Molecular FormulaC27H35ClN4O2
Molecular Weight483.06 g/mol
Exact Mass482.24
IUPAC Name(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride
SMILESCc1cc(C2CCCC2)cnc1N1CCN(C(=O)c2ccc([C@@H]3C(=O)NCC3C)cc2)CC1.Cl
InChIInChI=1S/C27H34N4O2.ClH/c1-18-15-23(20-5-3-4-6-20)17-28-25(18)30-11-13-31(14-12-30)27(33)22-9-7-21(8-10-22)24-19(2)16-29-26(24)32;/h7-10,15,17,19-20,24H,3-6,11-14,16H2,1-2H3,(H,29,32);1H/t19?,24-;/m1./s1
InChIKeyBLFHKFQRXAMXML-MBXXSUCOSA-N
XLogP4.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.06
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride
CID 141370952
(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
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
(4R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380868
(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380790
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370606
(3R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370680
4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 67380856
(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370594
1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione
CID 71252332
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride
CID 141370862

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride?
The IUPAC name of (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride (CID 141370811) is (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride is Cc1cc(C2CCCC2)cnc1N1CCN(C(=O)c2ccc([C@@H]3C(=O)NCC3C)cc2)CC1.Cl.
What is the InChIKey of (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride?
The InChIKey is BLFHKFQRXAMXML-MBXXSUCOSA-N. The full InChI is InChI=1S/C27H34N4O2.ClH/c1-18-15-23(20-5-3-4-6-20)17-28-25(18)30-11-13-31(14-12-30)27(33)22-9-7-21(8-10-22)24-19(2)16-29-26(24)32;/h7-10,15,17,19-20,24H,3-6,11-14,16H2,1-2H3,(H,29,32);1H/t19?,24-;/m1./s1.
What are the key properties of (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride?
(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride has a molecular weight of 483.06 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 141370811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).