(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one

C16H31N3O — CID 97319544

IUPAC(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)CN1CCN([C@H]2CCCN(C(C)C)C2=O)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)12-17-8-10-18(11-9-17)15-6-5-7-19(14(3)4)16(15)20/h13-15H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyGIUZJTSKNFJIDE-HNNXBMFYSA-N
MW281.44 g/mol
LogP1.66
Rot. Bonds4

About (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one

(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one (PubChem CID 97319544) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
PubChem CID97319544
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)CN1CCN([C@H]2CCCN(C(C)C)C2=O)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)12-17-8-10-18(11-9-17)15-6-5-7-19(14(3)4)16(15)20/h13-15H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyGIUZJTSKNFJIDE-HNNXBMFYSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-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

N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 75468309
2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 71863184
(3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319550
(3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97343945
3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 119919554
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one
CID 167894823
7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 75468311
tert-butyl 1-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperidine-4-carboxylate
CID 97220887
1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342797
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride
CID 120772686
3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride
CID 120775440
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one (CID 97319544) is (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one is CC(C)CN1CCN([C@H]2CCCN(C(C)C)C2=O)CC1.
What is the InChIKey of (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is GIUZJTSKNFJIDE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)12-17-8-10-18(11-9-17)15-6-5-7-19(14(3)4)16(15)20/h13-15H,5-12H2,1-4H3/t15-/m0/s1.
What are the key properties of (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 281.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 97319544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).