1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C19H29N5O2 — CID 70720048

IUPAC1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)n1
InChIInChI=1S/C19H29N5O2/c1-13-11-20-14(2)17(21-13)22-6-8-23(9-7-22)18(26)15-10-16(25)24(12-15)19(3,4)5/h11,15H,6-10,12H2,1-5H3
InChIKeyIXNHFRDUBRGQQN-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.39
Rot. Bonds2

About 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70720048) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID70720048
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)n1
InChIInChI=1S/C19H29N5O2/c1-13-11-20-14(2)17(21-13)22-6-8-23(9-7-22)18(26)15-10-16(25)24(12-15)19(3,4)5/h11,15H,6-10,12H2,1-5H3
InChIKeyIXNHFRDUBRGQQN-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.39
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
1-tert-butyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17081187
1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 45213447
(4R)-1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549380
(4S)-1-tert-butyl-4-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 97132856
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 155941155
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
(4S)-1-tert-butyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549336
4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108763854
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine
CID 59776855

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 70720048) is 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cnc(C)c(N2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)n1.
What is the InChIKey of 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IXNHFRDUBRGQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13-11-20-14(2)17(21-13)22-6-8-23(9-7-22)18(26)15-10-16(25)24(12-15)19(3,4)5/h11,15H,6-10,12H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70720048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).