(3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one

C27H34N4O2 — CID 141370659

IUPAC(3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc([C@@H]3C(=O)NCC3C(C)C)cc2)CC1
InChIInChI=1S/C27H34N4O2/c1-17(2)23-16-29-26(32)24(23)20-6-8-21(9-7-20)27(33)31-12-10-30(11-13-31)25-18(3)14-22(15-28-25)19-4-5-19/h6-9,14-15,17,19,23-24H,4-5,10-13,16H2,1-3H3,(H,29,32)/t23?,24-/m0/s1
InChIKeyHPDHPGRKCAGKFW-CGAIIQECSA-N
MW446.60 g/mol
LogP3.72
Rot. Bonds5

About (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one

(3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 141370659) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID141370659
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name(3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc([C@@H]3C(=O)NCC3C(C)C)cc2)CC1
InChIInChI=1S/C27H34N4O2/c1-17(2)23-16-29-26(32)24(23)20-6-8-21(9-7-20)27(33)31-12-10-30(11-13-31)25-18(3)14-22(15-28-25)19-4-5-19/h6-9,14-15,17,19,23-24H,4-5,10-13,16H2,1-3H3,(H,29,32)/t23?,24-/m0/s1
InChIKeyHPDHPGRKCAGKFW-CGAIIQECSA-N
XLogP3.72
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one with MolForge

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Related Compounds

(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370811
(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride
CID 141370952
[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[(2S)-1-methylsulfonylpropan-2-yl]phenyl]methanone
CID 162085233
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
(3R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one
CID 141370941
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141370863
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]phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67381372
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride
CID 141370862
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one
CID 141370707
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346
3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380804

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one (CID 141370659) is (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one is Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc([C@@H]3C(=O)NCC3C(C)C)cc2)CC1.
What is the InChIKey of (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is HPDHPGRKCAGKFW-CGAIIQECSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-17(2)23-16-29-26(32)24(23)20-6-8-21(9-7-20)27(33)31-12-10-30(11-13-31)25-18(3)14-22(15-28-25)19-4-5-19/h6-9,14-15,17,19,23-24H,4-5,10-13,16H2,1-3H3,(H,29,32)/t23?,24-/m0/s1.
What are the key properties of (3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one?
(3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 446.60 g/mol, XLogP of 3.72, 5 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-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 141370659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).