(3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one

C16H24N4O — CID 95486453

IUPAC(3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one
SMILESCCN1CCN(c2nccc(C3CCCC3)n2)[C@@H](C)C1=O
InChIInChI=1S/C16H24N4O/c1-3-19-10-11-20(12(2)15(19)21)16-17-9-8-14(18-16)13-6-4-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyDHYDXTVHZFITOJ-LBPRGKRZSA-N
MW288.40 g/mol
LogP2.19
Rot. Bonds3

About (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one

(3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one (PubChem CID 95486453) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one
PubChem CID95486453
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name(3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one
SMILESCCN1CCN(c2nccc(C3CCCC3)n2)[C@@H](C)C1=O
InChIInChI=1S/C16H24N4O/c1-3-19-10-11-20(12(2)15(19)21)16-17-9-8-14(18-16)13-6-4-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyDHYDXTVHZFITOJ-LBPRGKRZSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one (CID 95486453) is (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one is CCN1CCN(c2nccc(C3CCCC3)n2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one?
The InChIKey is DHYDXTVHZFITOJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-19-10-11-20(12(2)15(19)21)16-17-9-8-14(18-16)13-6-4-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one?
(3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one has a molecular weight of 288.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one is sourced from PubChem (CID 95486453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).