3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one

C20H27N5O2 — CID 129475293

IUPAC3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC[C@H](NCc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C20H27N5O2/c26-20-19(21-7-8-22-20)25-9-3-5-17(15-25)23-14-16-4-1-2-6-18(16)24-10-12-27-13-11-24/h1-2,4,6-8,17,23H,3,5,9-15H2,(H,22,26)/t17-/m0/s1
InChIKeyRUQOLSIROMPTRQ-KRWDZBQOSA-N
MW369.47 g/mol
LogP1.37
Rot. Bonds5

About 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one

3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129475293) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID129475293
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC[C@H](NCc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C20H27N5O2/c26-20-19(21-7-8-22-20)25-9-3-5-17(15-25)23-14-16-4-1-2-6-18(16)24-10-12-27-13-11-24/h1-2,4,6-8,17,23H,3,5,9-15H2,(H,22,26)/t17-/m0/s1
InChIKeyRUQOLSIROMPTRQ-KRWDZBQOSA-N
XLogP1.37
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3S)-3-[(2-morpholin-4-ylphenyl)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

3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1H-pyrazin-2-one
CID 128967013
N-[(2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75446101
3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129337236
3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473298
3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129007063
3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129474909
4-[(2-morpholin-4-ylphenyl)methylamino]cyclohexan-1-ol
CID 110928598
3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473564
(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine
CID 124559461
(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 129473040
3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
CID 129475291
3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129332667

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one (CID 129475293) is 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCC[C@H](NCc2ccccc2N2CCOCC2)C1.
What is the InChIKey of 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is RUQOLSIROMPTRQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20-19(21-7-8-22-20)25-9-3-5-17(15-25)23-14-16-4-1-2-6-18(16)24-10-12-27-13-11-24/h1-2,4,6-8,17,23H,3,5,9-15H2,(H,22,26)/t17-/m0/s1.
What are the key properties of 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 369.47 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129475293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).