2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

C25H31N3O2 — CID 16909818

IUPAC2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1C
InChIInChI=1S/C25H31N3O2/c1-18-9-10-22(16-19(18)2)26-24(29)17-27-14-11-21(12-15-27)25(30)28-13-5-7-20-6-3-4-8-23(20)28/h3-4,6,8-10,16,21H,5,7,11-15,17H2,1-2H3,(H,26,29)
InChIKeyHCTJMTWGTWNTGC-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.93
Rot. Bonds4

About 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 16909818) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID16909818
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1C
InChIInChI=1S/C25H31N3O2/c1-18-9-10-22(16-19(18)2)26-24(29)17-27-14-11-21(12-15-27)25(30)28-13-5-7-20-6-3-4-8-23(20)28/h3-4,6,8-10,16,21H,5,7,11-15,17H2,1-2H3,(H,26,29)
InChIKeyHCTJMTWGTWNTGC-UHFFFAOYSA-N
XLogP3.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 16909583
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909841
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 16909868
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16909781
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide
CID 109150627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 16909818) is 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1C.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is HCTJMTWGTWNTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18-9-10-22(16-19(18)2)26-24(29)17-27-14-11-21(12-15-27)25(30)28-13-5-7-20-6-3-4-8-23(20)28/h3-4,6,8-10,16,21H,5,7,11-15,17H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 405.54 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 16909818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).