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

C17H27N3O2 — CID 70276647

IUPAC4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(c2cc[nH]c(=O)c2)CCN1C(O)C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-13-12-19(15-7-8-18-16(21)11-15)9-10-20(13)17(22)14-5-3-2-4-6-14/h7-8,11,13-14,17,22H,2-6,9-10,12H2,1H3,(H,18,21)/t13-,17?/m1/s1
InChIKeyATGFAPOAEIGUHM-FWJOYPJLSA-N
MW305.42 g/mol
LogP1.78
Rot. Bonds3

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

4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one (PubChem CID 70276647) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one
PubChem CID70276647
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(c2cc[nH]c(=O)c2)CCN1C(O)C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-13-12-19(15-7-8-18-16(21)11-15)9-10-20(13)17(22)14-5-3-2-4-6-14/h7-8,11,13-14,17,22H,2-6,9-10,12H2,1H3,(H,18,21)/t13-,17?/m1/s1
InChIKeyATGFAPOAEIGUHM-FWJOYPJLSA-N
XLogP1.78
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one (CID 70276647) is 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one is C[C@@H]1CN(c2cc[nH]c(=O)c2)CCN1C(O)C1CCCCC1.
What is the InChIKey of 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is ATGFAPOAEIGUHM-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-12-19(15-7-8-18-16(21)11-15)9-10-20(13)17(22)14-5-3-2-4-6-14/h7-8,11,13-14,17,22H,2-6,9-10,12H2,1H3,(H,18,21)/t13-,17?/m1/s1.
What are the key properties of 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one?
4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 305.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-4-[cyclohexyl(hydroxy)methyl]-3-methylpiperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 70276647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).