5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one

C17H25N3O3 — CID 154784378

IUPAC5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H25N3O3/c1-23-15-11-16(21)18-12-14(15)17(22)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,18,21)
InChIKeyUCNHUAXCKQFAKY-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.47
Rot. Bonds3

About 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one

5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one (PubChem CID 154784378) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one
PubChem CID154784378
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H25N3O3/c1-23-15-11-16(21)18-12-14(15)17(22)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,18,21)
InChIKeyUCNHUAXCKQFAKY-UHFFFAOYSA-N
XLogP1.47
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
4-methoxy-5-[4-(6-methyl-3-pyridinyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 138026932
2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 55584263
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 796507

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one?
The IUPAC name of 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one (CID 154784378) is 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one is COc1cc(=O)[nH]cc1C(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one?
The InChIKey is UCNHUAXCKQFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-15-11-16(21)18-12-14(15)17(22)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,18,21).
What are the key properties of 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one?
5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one has a molecular weight of 319.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 154784378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).