1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one

C17H26N4O2 — CID 46981106

IUPAC1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one
SMILESCOCCc1ncc(CN2CCN(C3CCCC3)C(=O)C2)cn1
InChIInChI=1S/C17H26N4O2/c1-23-9-6-16-18-10-14(11-19-16)12-20-7-8-21(17(22)13-20)15-4-2-3-5-15/h10-11,15H,2-9,12-13H2,1H3
InChIKeyXXZHXEHNFXDSNK-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.25
Rot. Bonds6

About 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one

1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one (PubChem CID 46981106) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one
PubChem CID46981106
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one
SMILESCOCCc1ncc(CN2CCN(C3CCCC3)C(=O)C2)cn1
InChIInChI=1S/C17H26N4O2/c1-23-9-6-16-18-10-14(11-19-16)12-20-7-8-21(17(22)13-20)15-4-2-3-5-15/h10-11,15H,2-9,12-13H2,1H3
InChIKeyXXZHXEHNFXDSNK-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46963062
1-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-1,4-diazepane
CID 56884854
(3R,4R)-4-(azepan-1-yl)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-ol
CID 28956428
1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one
CID 46981248
1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
CID 50952577
2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride
CID 171667239
1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
CID 46981331
1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42455514
2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92611352
1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one
CID 74231008
4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 70739233
1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one
CID 56739229

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one (CID 46981106) is 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one is COCCc1ncc(CN2CCN(C3CCCC3)C(=O)C2)cn1.
What is the InChIKey of 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one?
The InChIKey is XXZHXEHNFXDSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-23-9-6-16-18-10-14(11-19-16)12-20-7-8-21(17(22)13-20)15-4-2-3-5-15/h10-11,15H,2-9,12-13H2,1H3.
What are the key properties of 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one?
1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 46981106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).