2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C22H24N4O3 — CID 164632184

IUPAC2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CNc3ccccc3C(=O)N3CCC[C@H](O)C3)nc12
InChIInChI=1S/C22H24N4O3/c1-15-6-4-11-26-20(28)12-16(24-21(15)26)13-23-19-9-3-2-8-18(19)22(29)25-10-5-7-17(27)14-25/h2-4,6,8-9,11-12,17,23,27H,5,7,10,13-14H2,1H3/t17-/m0/s1
InChIKeyORJZSNNGEXHUMY-KRWDZBQOSA-N
MW392.46 g/mol
LogP2.21
Rot. Bonds4

About 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 164632184) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID164632184
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CNc3ccccc3C(=O)N3CCC[C@H](O)C3)nc12
InChIInChI=1S/C22H24N4O3/c1-15-6-4-11-26-20(28)12-16(24-21(15)26)13-23-19-9-3-2-8-18(19)22(29)25-10-5-7-17(27)14-25/h2-4,6,8-9,11-12,17,23,27H,5,7,10,13-14H2,1H3/t17-/m0/s1
InChIKeyORJZSNNGEXHUMY-KRWDZBQOSA-N
XLogP2.21
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-[[2-(3-hydroxypiperidine-1-carbonyl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60536669
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898
(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
CID 154736364
[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110900298
4-[[2-(3-hydroxypiperidine-1-carbonyl)anilino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 60536693
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
CID 111753525
[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 71855541
[(3R)-3-hydroxypiperidin-1-yl]-[2-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
CID 99828541
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 164632184) is 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CNc3ccccc3C(=O)N3CCC[C@H](O)C3)nc12.
What is the InChIKey of 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ORJZSNNGEXHUMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-6-4-11-26-20(28)12-16(24-21(15)26)13-23-19-9-3-2-8-18(19)22(29)25-10-5-7-17(27)14-25/h2-4,6,8-9,11-12,17,23,27H,5,7,10,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 392.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 164632184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).