(4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one

C22H25N3O2 — CID 126438660

IUPAC(4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-24-20-7-3-2-6-18(20)19(14-21(24)26)22(27)25-11-8-16(9-12-25)13-17-5-4-10-23-15-17/h2-7,10,15-16,19H,8-9,11-14H2,1H3/t19-/m1/s1
InChIKeyUNICBFMMOGHAEL-LJQANCHMSA-N
MW363.46 g/mol
LogP3.01
Rot. Bonds3

About (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one

(4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one (PubChem CID 126438660) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one
PubChem CID126438660
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-24-20-7-3-2-6-18(20)19(14-21(24)26)22(27)25-11-8-16(9-12-25)13-17-5-4-10-23-15-17/h2-7,10,15-16,19H,8-9,11-14H2,1H3/t19-/m1/s1
InChIKeyUNICBFMMOGHAEL-LJQANCHMSA-N
XLogP3.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 126428390
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519981
2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 136538935
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519929
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 136547554
(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 75440738

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one (CID 126438660) is (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one is CN1C(=O)C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)c2ccccc21.
What is the InChIKey of (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one?
The InChIKey is UNICBFMMOGHAEL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-20-7-3-2-6-18(20)19(14-21(24)26)22(27)25-11-8-16(9-12-25)13-17-5-4-10-23-15-17/h2-7,10,15-16,19H,8-9,11-14H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one?
(4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 126438660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).