1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one

C22H30N4O2 — CID 46981248

IUPAC1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one
SMILESCOc1ccc(CN2CCN(C3CCCC3)C(=O)C2)cc1Cn1ccnc1C
InChIInChI=1S/C22H30N4O2/c1-17-23-9-10-25(17)15-19-13-18(7-8-21(19)28-2)14-24-11-12-26(22(27)16-24)20-5-3-4-6-20/h7-10,13,20H,3-6,11-12,14-16H2,1-2H3
InChIKeyLSXTUETWBFQFOB-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.84
Rot. Bonds6

About 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one

1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one (PubChem CID 46981248) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one
PubChem CID46981248
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one
SMILESCOc1ccc(CN2CCN(C3CCCC3)C(=O)C2)cc1Cn1ccnc1C
InChIInChI=1S/C22H30N4O2/c1-17-23-9-10-25(17)15-19-13-18(7-8-21(19)28-2)14-24-11-12-26(22(27)16-24)20-5-3-4-6-20/h7-10,13,20H,3-6,11-12,14-16H2,1-2H3
InChIKeyLSXTUETWBFQFOB-UHFFFAOYSA-N
XLogP2.84
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one with MolForge

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Related Compounds

[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
CID 50952577
1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole
CID 93242506
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621
1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46963062
3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 170866655
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
(9aR)-2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95140203
1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46981106
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 74244251

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one (CID 46981248) is 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one is COc1ccc(CN2CCN(C3CCCC3)C(=O)C2)cc1Cn1ccnc1C.
What is the InChIKey of 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one?
The InChIKey is LSXTUETWBFQFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-23-9-10-25(17)15-19-13-18(7-8-21(19)28-2)14-24-11-12-26(22(27)16-24)20-5-3-4-6-20/h7-10,13,20H,3-6,11-12,14-16H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one?
1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one has a molecular weight of 382.51 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 46981248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).