3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one

C18H22N6O — CID 129473298

IUPAC3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCn1c(CN[C@H]2CCCN(c3ncc[nH]c3=O)C2)nc2ccccc21
InChIInChI=1S/C18H22N6O/c1-23-15-7-3-2-6-14(15)22-16(23)11-21-13-5-4-10-24(12-13)17-18(25)20-9-8-19-17/h2-3,6-9,13,21H,4-5,10-12H2,1H3,(H,20,25)/t13-/m0/s1
InChIKeyFQZDXVFLPAEURJ-ZDUSSCGKSA-N
MW338.41 g/mol
LogP1.42
Rot. Bonds4

About 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one

3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129473298) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID129473298
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCn1c(CN[C@H]2CCCN(c3ncc[nH]c3=O)C2)nc2ccccc21
InChIInChI=1S/C18H22N6O/c1-23-15-7-3-2-6-14(15)22-16(23)11-21-13-5-4-10-24(12-13)17-18(25)20-9-8-19-17/h2-3,6-9,13,21H,4-5,10-12H2,1H3,(H,20,25)/t13-/m0/s1
InChIKeyFQZDXVFLPAEURJ-ZDUSSCGKSA-N
XLogP1.42
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778130
3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129474909
3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129475293
3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129337236
3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129007063
3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1H-pyrazin-2-one
CID 128967013
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 171358910
(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 129473040

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one (CID 129473298) is 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one is Cn1c(CN[C@H]2CCCN(c3ncc[nH]c3=O)C2)nc2ccccc21.
What is the InChIKey of 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is FQZDXVFLPAEURJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23-15-7-3-2-6-14(15)22-16(23)11-21-13-5-4-10-24(12-13)17-18(25)20-9-8-19-17/h2-3,6-9,13,21H,4-5,10-12H2,1H3,(H,20,25)/t13-/m0/s1.
What are the key properties of 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129473298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).