5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one

C16H21N5O2 — CID 97281034

IUPAC5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C16H21N5O2/c1-11(2)21-7-5-17-15(21)12-4-3-6-20(10-12)16(23)13-8-19-14(22)9-18-13/h5,7-9,11-12H,3-4,6,10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyCJCHSGDKDYNCHP-GFCCVEGCSA-N
MW315.38 g/mol
LogP1.57
Rot. Bonds3

About 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 97281034) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID97281034
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C16H21N5O2/c1-11(2)21-7-5-17-15(21)12-4-3-6-20(10-12)16(23)13-8-19-14(22)9-18-13/h5,7-9,11-12H,3-4,6,10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyCJCHSGDKDYNCHP-GFCCVEGCSA-N
XLogP1.57
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 97282923
5-[(3R)-3-(1-benzylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 96579681
5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72897928
5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 72849233
2-methyl-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98301611
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97187963
8-fluoro-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 72845717
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97189613
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 72898151
6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 77096988
(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72881750

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 97281034) is 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one is CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is CJCHSGDKDYNCHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(2)21-7-5-17-15(21)12-4-3-6-20(10-12)16(23)13-8-19-14(22)9-18-13/h5,7-9,11-12H,3-4,6,10H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 315.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 97281034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).