4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one

C11H17N3O — CID 138472332

IUPAC4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one
SMILESCC[C@@H]1CNCCN1c1cc[nH]c(=O)c1
InChIInChI=1S/C11H17N3O/c1-2-9-8-12-5-6-14(9)10-3-4-13-11(15)7-10/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyIDWSYQRFXPSHNA-SECBINFHSA-N
MW207.28 g/mol
LogP0.56
Rot. Bonds2

About 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one

4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one (PubChem CID 138472332) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one
PubChem CID138472332
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one
SMILESCC[C@@H]1CNCCN1c1cc[nH]c(=O)c1
InChIInChI=1S/C11H17N3O/c1-2-9-8-12-5-6-14(9)10-3-4-13-11(15)7-10/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyIDWSYQRFXPSHNA-SECBINFHSA-N
XLogP0.56
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nigragillin
CID 71454343
N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-3-yl]acetamide
CID 118741506
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
4-(Piperazin-1-yl)pyridin-2-ol hydrobromide
CID 139026493
5-(Piperazin-1-yl)-1,2-dihydropyridin-2-one dihydrobromide
CID 145913749
4-isopropylamino-2(1H)-pyridone
CID 129200431
1-(2-(Piperazin-1-yl)ethyl)pyridin-2(1H)-one
CID 12704870
4-(Piperazin-1-yl)-1,2-dihydropyridin-2-one
CID 59606517
5-(piperazin-1-yl)pyridin-2(1H)-one
CID 77231103
5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one
CID 130377235
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449077
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449078

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one (CID 138472332) is 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one is CC[C@@H]1CNCCN1c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is IDWSYQRFXPSHNA-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-9-8-12-5-6-14(9)10-3-4-13-11(15)7-10/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,13,15)/t9-/m1/s1.
What are the key properties of 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one?
4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138472332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).