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

C30H30F3N3O2 — CID 134807345

IUPAC1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CCCc2ncc(C(=O)N3CCCC[C@@H]3Cc3ccccc3)cc21
InChIInChI=1S/C30H30F3N3O2/c31-30(32,33)24-11-6-10-22(16-24)18-28(37)36-15-7-13-26-27(36)19-23(20-34-26)29(38)35-14-5-4-12-25(35)17-21-8-2-1-3-9-21/h1-3,6,8-11,16,19-20,25H,4-5,7,12-15,17-18H2/t25-/m1/s1
InChIKeyZUGZQRKEFMSZAR-RUZDIDTESA-N
MW521.58 g/mol
LogP5.86
Rot. Bonds5

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

1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 134807345) has the molecular formula C30H30F3N3O2 and a molecular weight of 521.58 g/mol. Its IUPAC name is 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID134807345
Molecular FormulaC30H30F3N3O2
Molecular Weight521.58 g/mol
Exact Mass521.23
IUPAC Name1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CCCc2ncc(C(=O)N3CCCC[C@@H]3Cc3ccccc3)cc21
InChIInChI=1S/C30H30F3N3O2/c31-30(32,33)24-11-6-10-22(16-24)18-28(37)36-15-7-13-26-27(36)19-23(20-34-26)29(38)35-14-5-4-12-25(35)17-21-8-2-1-3-9-21/h1-3,6,8-11,16,19-20,25H,4-5,7,12-15,17-18H2/t25-/m1/s1
InChIKeyZUGZQRKEFMSZAR-RUZDIDTESA-N
XLogP5.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.58
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 134807345) is 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)N1CCCc2ncc(C(=O)N3CCCC[C@@H]3Cc3ccccc3)cc21.
What is the InChIKey of 1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZUGZQRKEFMSZAR-RUZDIDTESA-N. The full InChI is InChI=1S/C30H30F3N3O2/c31-30(32,33)24-11-6-10-22(16-24)18-28(37)36-15-7-13-26-27(36)19-23(20-34-26)29(38)35-14-5-4-12-25(35)17-21-8-2-1-3-9-21/h1-3,6,8-11,16,19-20,25H,4-5,7,12-15,17-18H2/t25-/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-[3-(trifluoromethyl)phenyl]ethanone?
1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 521.58 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 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-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 134807345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).