(4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one

C15H27N3O2 — CID 128508818

IUPAC(4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCC(C)CN1CCN(C(=O)[C@@H]2C[C@H](C)CC(=O)N2)CC1
InChIInChI=1S/C15H27N3O2/c1-11(2)10-17-4-6-18(7-5-17)15(20)13-8-12(3)9-14(19)16-13/h11-13H,4-10H2,1-3H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyTWBCWXXSODDESD-STQMWFEESA-N
MW281.40 g/mol
LogP0.70
Rot. Bonds3

About (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one

(4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 128508818) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID128508818
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCC(C)CN1CCN(C(=O)[C@@H]2C[C@H](C)CC(=O)N2)CC1
InChIInChI=1S/C15H27N3O2/c1-11(2)10-17-4-6-18(7-5-17)15(20)13-8-12(3)9-14(19)16-13/h11-13H,4-10H2,1-3H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyTWBCWXXSODDESD-STQMWFEESA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813273
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 116655615
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62778021
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
4-methyl-6-oxopiperidine-2-carboxamide
CID 130643778
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one (CID 128508818) is (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one is CC(C)CN1CCN(C(=O)[C@@H]2C[C@H](C)CC(=O)N2)CC1.
What is the InChIKey of (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is TWBCWXXSODDESD-STQMWFEESA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)10-17-4-6-18(7-5-17)15(20)13-8-12(3)9-14(19)16-13/h11-13H,4-10H2,1-3H3,(H,16,19)/t12-,13-/m0/s1.
What are the key properties of (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one?
(4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 281.40 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 128508818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).