4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one

C19H31N3O2 — CID 70277794

IUPAC4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one
SMILESCCn1ccc(N2CCN(C(O)C3CCCCC3)[C@H](C)C2)cc1=O
InChIInChI=1S/C19H31N3O2/c1-3-20-10-9-17(13-18(20)23)21-11-12-22(15(2)14-21)19(24)16-7-5-4-6-8-16/h9-10,13,15-16,19,24H,3-8,11-12,14H2,1-2H3/t15-,19?/m1/s1
InChIKeyGYVWICCZHJBFTB-NYRJJRHWSA-N
MW333.48 g/mol
LogP2.28
Rot. Bonds4

About 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one

4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one (PubChem CID 70277794) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one
PubChem CID70277794
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one
SMILESCCn1ccc(N2CCN(C(O)C3CCCCC3)[C@H](C)C2)cc1=O
InChIInChI=1S/C19H31N3O2/c1-3-20-10-9-17(13-18(20)23)21-11-12-22(15(2)14-21)19(24)16-7-5-4-6-8-16/h9-10,13,15-16,19,24H,3-8,11-12,14H2,1-2H3/t15-,19?/m1/s1
InChIKeyGYVWICCZHJBFTB-NYRJJRHWSA-N
XLogP2.28
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[Cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-propyl-2,3-dihydropyridin-6-one
CID 70276049
4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one
CID 70276647
1-[2-[3-(2-Hydroxyethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 78942294
1-[2-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 137976967

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one?
The IUPAC name of 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one (CID 70277794) is 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one.
What is the SMILES notation for 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one?
The canonical SMILES for 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one is CCn1ccc(N2CCN(C(O)C3CCCCC3)[C@H](C)C2)cc1=O.
What is the InChIKey of 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one?
The InChIKey is GYVWICCZHJBFTB-NYRJJRHWSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-20-10-9-17(13-18(20)23)21-11-12-22(15(2)14-21)19(24)16-7-5-4-6-8-16/h9-10,13,15-16,19,24H,3-8,11-12,14H2,1-2H3/t15-,19?/m1/s1.
What are the key properties of 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one?
4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one has a molecular weight of 333.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1-ethylpyridin-2-one is sourced from PubChem (CID 70277794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).