6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one

C16H23N3O2 — CID 164640688

IUPAC6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CCN1C1CCCC1
InChIInChI=1S/C16H23N3O2/c1-12-11-18(9-10-19(12)13-5-2-3-6-13)16(21)14-7-4-8-15(20)17-14/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeySNSCDAAQQRFRQI-LBPRGKRZSA-N
MW289.38 g/mol
LogP1.46
Rot. Bonds2

About 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one

6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 164640688) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID164640688
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CCN1C1CCCC1
InChIInChI=1S/C16H23N3O2/c1-12-11-18(9-10-19(12)13-5-2-3-6-13)16(21)14-7-4-8-15(20)17-14/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeySNSCDAAQQRFRQI-LBPRGKRZSA-N
XLogP1.46
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one (CID 164640688) is 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one is C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CCN1C1CCCC1.
What is the InChIKey of 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SNSCDAAQQRFRQI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-11-18(9-10-19(12)13-5-2-3-6-13)16(21)14-7-4-8-15(20)17-14/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one?
6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 164640688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).