(4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one

C23H35N3O — CID 95226513

IUPAC(4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CCC(NC[C@H]3CC(=O)N(C4CCCC4)C3)CC2)c1
InChIInChI=1S/C23H35N3O/c1-17-11-18(2)13-22(12-17)25-9-7-20(8-10-25)24-15-19-14-23(27)26(16-19)21-5-3-4-6-21/h11-13,19-21,24H,3-10,14-16H2,1-2H3/t19-/m1/s1
InChIKeyBVTIYIIFIMWOOS-LJQANCHMSA-N
MW369.55 g/mol
LogP3.65
Rot. Bonds5

About (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one

(4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 95226513) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID95226513
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name(4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CCC(NC[C@H]3CC(=O)N(C4CCCC4)C3)CC2)c1
InChIInChI=1S/C23H35N3O/c1-17-11-18(2)13-22(12-17)25-9-7-20(8-10-25)24-15-19-14-23(27)26(16-19)21-5-3-4-6-21/h11-13,19-21,24H,3-10,14-16H2,1-2H3/t19-/m1/s1
InChIKeyBVTIYIIFIMWOOS-LJQANCHMSA-N
XLogP3.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 95201095
1-cyclopentyl-4-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-2-one
CID 131890199
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine
CID 126443842
1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 83533637
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 99919595
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 126449902
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216
(3S,8aS)-2-[1-(3,5-dimethylphenyl)piperidin-4-yl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137339495
1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine
CID 43315457
2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide
CID 45252509

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 95226513) is (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one is Cc1cc(C)cc(N2CCC(NC[C@H]3CC(=O)N(C4CCCC4)C3)CC2)c1.
What is the InChIKey of (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is BVTIYIIFIMWOOS-LJQANCHMSA-N. The full InChI is InChI=1S/C23H35N3O/c1-17-11-18(2)13-22(12-17)25-9-7-20(8-10-25)24-15-19-14-23(27)26(16-19)21-5-3-4-6-21/h11-13,19-21,24H,3-10,14-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
(4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 369.55 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95226513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).