1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one

C17H23N3O3 — CID 56918809

IUPAC1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
SMILESCOc1cccnc1C(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C17H23N3O3/c1-23-14-8-5-9-18-16(14)17(22)19-10-11-20(15(21)12-19)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3
InChIKeySDYHRIQWGFLPSS-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.71
Rot. Bonds3

About 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one

1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one (PubChem CID 56918809) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
PubChem CID56918809
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
SMILESCOc1cccnc1C(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C17H23N3O3/c1-23-14-8-5-9-18-16(14)17(22)19-10-11-20(15(21)12-19)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3
InChIKeySDYHRIQWGFLPSS-UHFFFAOYSA-N
XLogP1.71
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one
CID 56739229
1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
CID 110720744
1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
CID 50952577
2-[1-(3-methoxypyridine-2-carbonyl)piperidin-4-yl]cyclopentane-1-carboxylic acid
CID 166317595
4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86287002
2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863356
1-cyclopropyl-4-(2-pyrazol-1-ylpyridine-3-carbonyl)piperazin-2-one
CID 71863506
N-cyclopropyl-1-[1-(3-methoxypyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56870281
3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one
CID 114054354
[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95557861
1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one
CID 46964597
1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
CID 70782658

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one (CID 56918809) is 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one is COc1cccnc1C(=O)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one?
The InChIKey is SDYHRIQWGFLPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-14-8-5-9-18-16(14)17(22)19-10-11-20(15(21)12-19)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3.
What are the key properties of 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one?
1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 56918809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).