1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone

C32H34N4O2 — CID 134807589

IUPAC1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCCc3ncc(C(=O)N4CCCC[C@@H]4Cc4ccccc4)cc32)c2ccccc21
InChIInChI=1S/C32H34N4O2/c1-34-22-25(27-13-5-6-15-29(27)34)20-31(37)36-17-9-14-28-30(36)19-24(21-33-28)32(38)35-16-8-7-12-26(35)18-23-10-3-2-4-11-23/h2-6,10-11,13,15,19,21-22,26H,7-9,12,14,16-18,20H2,1H3/t26-/m1/s1
InChIKeyAUMJXBYZPGBHHY-AREMUKBSSA-N
MW506.65 g/mol
LogP5.33
Rot. Bonds5

About 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone

1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 134807589) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID134807589
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC Name1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCCc3ncc(C(=O)N4CCCC[C@@H]4Cc4ccccc4)cc32)c2ccccc21
InChIInChI=1S/C32H34N4O2/c1-34-22-25(27-13-5-6-15-29(27)34)20-31(37)36-17-9-14-28-30(36)19-24(21-33-28)32(38)35-16-8-7-12-26(35)18-23-10-3-2-4-11-23/h2-6,10-11,13,15,19,21-22,26H,7-9,12,14,16-18,20H2,1H3/t26-/m1/s1
InChIKeyAUMJXBYZPGBHHY-AREMUKBSSA-N
XLogP5.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone with MolForge

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Related Compounds

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Parvine
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2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
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indole-based 6-membered lactam, (R)-4a
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N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)quinoline-3-carboxamide
CID 44138050
Indole-based 6-membered lactam, 4d
CID 44143549
5-Phenyl-3-(Quinolin-6-Ylmethyl)-3,5,6,7-Tetrahydro-4h-[1,2,3]triazolo[4,5-C]pyridin-4-One
CID 44512602
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
5-[2-[4-[2-(1~{h}-Indol-3-Yl)ethyl]piperazin-1-Yl]phenyl]-~{n}-(3-Pyrrolidin-1-Ylpropyl)pyridine-3-Carboxamide
CID 122705799
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507812

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone (CID 134807589) is 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone is Cn1cc(CC(=O)N2CCCc3ncc(C(=O)N4CCCC[C@@H]4Cc4ccccc4)cc32)c2ccccc21.
What is the InChIKey of 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is AUMJXBYZPGBHHY-AREMUKBSSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-34-22-25(27-13-5-6-15-29(27)34)20-31(37)36-17-9-14-28-30(36)19-24(21-33-28)32(38)35-16-8-7-12-26(35)18-23-10-3-2-4-11-23/h2-6,10-11,13,15,19,21-22,26H,7-9,12,14,16-18,20H2,1H3/t26-/m1/s1.
What are the key properties of 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone?
1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 506.65 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 134807589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).