1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one

C21H31N5O2 — CID 45213447

IUPAC1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C21H31N5O2/c1-15-13-22-16(2)20(23-15)24-9-11-25(12-10-24)21(28)17-7-8-19(27)26(14-17)18-5-3-4-6-18/h13,17-18H,3-12,14H2,1-2H3
InChIKeyYHQVZQKIEGQMKQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.92
Rot. Bonds3

About 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one

1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 45213447) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID45213447
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C21H31N5O2/c1-15-13-22-16(2)20(23-15)24-9-11-25(12-10-24)21(28)17-7-8-19(27)26(14-17)18-5-3-4-6-18/h13,17-18H,3-12,14H2,1-2H3
InChIKeyYHQVZQKIEGQMKQ-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
(5R)-1-cyclopropyl-5-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-2-one
CID 42189910
(5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
CID 126451283
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 70720048
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone
CID 175648087
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 155941155
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
CID 24791970
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
(4S)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 94178191
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113185530

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one (CID 45213447) is 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one is Cc1cnc(C)c(N2CCN(C(=O)C3CCC(=O)N(C4CCCC4)C3)CC2)n1.
What is the InChIKey of 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is YHQVZQKIEGQMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-15-13-22-16(2)20(23-15)24-9-11-25(12-10-24)21(28)17-7-8-19(27)26(14-17)18-5-3-4-6-18/h13,17-18H,3-12,14H2,1-2H3.
What are the key properties of 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one?
1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 385.51 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 45213447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).