(5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C25H30ClN3O2 — CID 95834027

IUPAC(5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)n1
InChIInChI=1S/C25H30ClN3O2/c1-17-14-19(15-18-2-4-21(26)5-3-18)16-23(27-17)20-10-12-29(13-11-20)25(31)9-7-22-6-8-24(30)28-22/h2-5,14,16,20,22H,6-13,15H2,1H3,(H,28,30)/t22-/m1/s1
InChIKeyZVCZIGYLTJWUOH-JOCHJYFZSA-N
MW439.99 g/mol
LogP4.40
Rot. Bonds6

About (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

(5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 95834027) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID95834027
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name(5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)n1
InChIInChI=1S/C25H30ClN3O2/c1-17-14-19(15-18-2-4-21(26)5-3-18)16-23(27-17)20-10-12-29(13-11-20)25(31)9-7-22-6-8-24(30)28-22/h2-5,14,16,20,22H,6-13,15H2,1H3,(H,28,30)/t22-/m1/s1
InChIKeyZVCZIGYLTJWUOH-JOCHJYFZSA-N
XLogP4.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92616961
N-methyl-5-[6-[1-[3-[(2R)-5-oxopyrrolidin-2-yl]propanoyl]piperidin-4-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 95834079
1-[4-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 110263692
1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 92617091
1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730
1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834685
(6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92617102
1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92616934
2-methyl-1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834676
4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95814535
4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110263685
4-[(4-chlorophenyl)methyl]-2-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
CID 110262687

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 95834027) is (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)n1.
What is the InChIKey of (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is ZVCZIGYLTJWUOH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-17-14-19(15-18-2-4-21(26)5-3-18)16-23(27-17)20-10-12-29(13-11-20)25(31)9-7-22-6-8-24(30)28-22/h2-5,14,16,20,22H,6-13,15H2,1H3,(H,28,30)/t22-/m1/s1.
What are the key properties of (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
(5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 439.99 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 95834027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).