1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide

C26H33N3O4S — CID 46361708

IUPAC1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCC(C)c4ccccc4)CC3)ccc21
InChIInChI=1S/C26H33N3O4S/c1-19(21-7-4-3-5-8-21)18-27-26(31)22-12-15-28(16-13-22)34(32,33)24-10-11-25-23(17-24)9-6-14-29(25)20(2)30/h3-5,7-8,10-11,17,19,22H,6,9,12-16,18H2,1-2H3,(H,27,31)
InChIKeyDZXKIBXXKNMVRX-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.31
Rot. Bonds6

About 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide (PubChem CID 46361708) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
PubChem CID46361708
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCC(C)c4ccccc4)CC3)ccc21
InChIInChI=1S/C26H33N3O4S/c1-19(21-7-4-3-5-8-21)18-27-26(31)22-12-15-28(16-13-22)34(32,33)24-10-11-25-23(17-24)9-6-14-29(25)20(2)30/h3-5,7-8,10-11,17,19,22H,6,9,12-16,18H2,1-2H3,(H,27,31)
InChIKeyDZXKIBXXKNMVRX-UHFFFAOYSA-N
XLogP3.31
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46361677
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46361687
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 46361676
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55914561
(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-[(2S)-butan-2-yl]piperidine-3-carboxamide
CID 92714855
N-[(2R)-butan-2-yl]-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 92877058
1-[6-(4-propan-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 113072690
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 53106236
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 7436981
1-[6-(4-butan-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 113073014
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 22583517
4-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperazine-1-carbaldehyde
CID 113098087

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide (CID 46361708) is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide is CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCC(C)c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is DZXKIBXXKNMVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-19(21-7-4-3-5-8-21)18-27-26(31)22-12-15-28(16-13-22)34(32,33)24-10-11-25-23(17-24)9-6-14-29(25)20(2)30/h3-5,7-8,10-11,17,19,22H,6,9,12-16,18H2,1-2H3,(H,27,31).
What are the key properties of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46361708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).