(4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one

C19H35N3O — CID 95201095

IUPAC(4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCC(C)CN1CCC(NC[C@@H]2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C19H35N3O/c1-15(2)13-21-9-7-17(8-10-21)20-12-16-11-19(23)22(14-16)18-5-3-4-6-18/h15-18,20H,3-14H2,1-2H3/t16-/m0/s1
InChIKeyLVUCOKDIBKSKEF-INIZCTEOSA-N
MW321.51 g/mol
LogP2.49
Rot. Bonds6

About (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one

(4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 95201095) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID95201095
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name(4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCC(C)CN1CCC(NC[C@@H]2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C19H35N3O/c1-15(2)13-21-9-7-17(8-10-21)20-12-16-11-19(23)22(14-16)18-5-3-4-6-18/h15-18,20H,3-14H2,1-2H3/t16-/m0/s1
InChIKeyLVUCOKDIBKSKEF-INIZCTEOSA-N
XLogP2.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 95226513
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
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-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 83533637
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 99919595
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 103785802
1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 117005579
(4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 26403499
4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one
CID 117005709
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 95201095) is (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one is CC(C)CN1CCC(NC[C@@H]2CC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is LVUCOKDIBKSKEF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H35N3O/c1-15(2)13-21-9-7-17(8-10-21)20-12-16-11-19(23)22(14-16)18-5-3-4-6-18/h15-18,20H,3-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
(4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 321.51 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95201095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).