(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

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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).