1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one

C14H21N5O2 — CID 119891429

IUPAC1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCN(C(=O)C3CCCN3)CC2)c1=O
InChIInChI=1S/C14H21N5O2/c1-17-6-5-16-12(14(17)21)18-7-9-19(10-8-18)13(20)11-3-2-4-15-11/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyFVKXBKQUNOYNBL-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.82
Rot. Bonds2

About 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one

1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one (PubChem CID 119891429) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one
PubChem CID119891429
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCN(C(=O)C3CCCN3)CC2)c1=O
InChIInChI=1S/C14H21N5O2/c1-17-6-5-16-12(14(17)21)18-7-9-19(10-8-18)13(20)11-3-2-4-15-11/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyFVKXBKQUNOYNBL-UHFFFAOYSA-N
XLogP-0.82
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 103813525
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 119850197
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 103814195
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119840107
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 163357777
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one (CID 119891429) is 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one is Cn1ccnc(N2CCN(C(=O)C3CCCN3)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one?
The InChIKey is FVKXBKQUNOYNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-17-6-5-16-12(14(17)21)18-7-9-19(10-8-18)13(20)11-3-2-4-15-11/h5-6,11,15H,2-4,7-10H2,1H3.
What are the key properties of 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one?
1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one has a molecular weight of 291.35 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one is sourced from PubChem (CID 119891429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).