(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one

C11H16N2O3 — CID 97090915

IUPAC(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C11H16N2O3/c1-8-10(14)12-5-6-13(8)11(15)9-4-2-3-7-16-9/h4,8H,2-3,5-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyDOQPISTVNYQGQN-QMMMGPOBSA-N
MW224.26 g/mol
LogP0.03
Rot. Bonds1

About (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one

(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one (PubChem CID 97090915) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
PubChem CID97090915
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C11H16N2O3/c1-8-10(14)12-5-6-13(8)11(15)9-4-2-3-7-16-9/h4,8H,2-3,5-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyDOQPISTVNYQGQN-QMMMGPOBSA-N
XLogP0.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one (CID 97090915) is (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one is C[C@H]1C(=O)NCCN1C(=O)C1=CCCCO1.
What is the InChIKey of (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is DOQPISTVNYQGQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-10(14)12-5-6-13(8)11(15)9-4-2-3-7-16-9/h4,8H,2-3,5-7H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one?
(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 97090915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).