1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide

C17H21F2N3O2 — CID 78860771

IUPAC1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCCc3cc(F)cc(F)c32)CC1
InChIInChI=1S/C17H21F2N3O2/c18-13-8-12-2-1-5-22(16(12)14(19)9-13)10-15(23)21-6-3-11(4-7-21)17(20)24/h8-9,11H,1-7,10H2,(H2,20,24)
InChIKeyPGWRIWCKKMLLQX-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide

1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 78860771) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID78860771
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCCc3cc(F)cc(F)c32)CC1
InChIInChI=1S/C17H21F2N3O2/c18-13-8-12-2-1-5-22(16(12)14(19)9-13)10-15(23)21-6-3-11(4-7-21)17(20)24/h8-9,11H,1-7,10H2,(H2,20,24)
InChIKeyPGWRIWCKKMLLQX-UHFFFAOYSA-N
XLogP1.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
N-(1-acetylpiperidin-4-yl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55627158
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 34010560
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 78860773
1-[2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
CID 78870942
N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 43065929
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
CID 34009318
1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide
CID 78857490
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
CID 78871449
N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 43065986

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide (CID 78860771) is 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN2CCCc3cc(F)cc(F)c32)CC1.
What is the InChIKey of 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is PGWRIWCKKMLLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c18-13-8-12-2-1-5-22(16(12)14(19)9-13)10-15(23)21-6-3-11(4-7-21)17(20)24/h8-9,11H,1-7,10H2,(H2,20,24).
What are the key properties of 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide?
1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 78860771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).