1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one

C18H26N2O3 — CID 50952577

IUPAC1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(O)c1CN1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C18H26N2O3/c1-23-17-9-5-8-16(21)15(17)12-19-10-11-20(18(22)13-19)14-6-3-2-4-7-14/h5,8-9,14,21H,2-4,6-7,10-13H2,1H3
InChIKeyUXJIGBFIDNHRTE-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.38
Rot. Bonds4

About 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one

1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 50952577) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
PubChem CID50952577
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(O)c1CN1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C18H26N2O3/c1-23-17-9-5-8-16(21)15(17)12-19-10-11-20(18(22)13-19)14-6-3-2-4-7-14/h5,8-9,14,21H,2-4,6-7,10-13H2,1H3
InChIKeyUXJIGBFIDNHRTE-UHFFFAOYSA-N
XLogP2.38
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one
CID 46981248
1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one
CID 45211340
1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46963062
1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
CID 56918809
1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42455514
2-[(2,6-dimethoxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165364
(3aR,6aR)-5-cyclopentyl-2-[(2-hydroxy-6-methoxyphenyl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50963684
1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46981106
1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
CID 46981331
methyl N-[[3-[(4-cyclohexyl-3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
CID 68967711
(2R)-2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-(3,4-dimethoxyphenyl)acetic acid
CID 97194298
2-[(2-chloro-6-methoxyphenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 103293543

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one (CID 50952577) is 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one is COc1cccc(O)c1CN1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is UXJIGBFIDNHRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-17-9-5-8-16(21)15(17)12-19-10-11-20(18(22)13-19)14-6-3-2-4-7-14/h5,8-9,14,21H,2-4,6-7,10-13H2,1H3.
What are the key properties of 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one?
1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 50952577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).