1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide

C21H29N3O4S — CID 56585573

IUPAC1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C21H29N3O4S/c1-2-16-29(26,27)24-14-4-3-10-18(24)21(25)23-13-7-15-28-19-11-5-8-17-9-6-12-22-20(17)19/h5-6,8-9,11-12,18H,2-4,7,10,13-16H2,1H3,(H,23,25)
InChIKeyFIAWXMCUNYTTJS-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.71
Rot. Bonds9

About 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide

1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide (PubChem CID 56585573) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide
PubChem CID56585573
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C21H29N3O4S/c1-2-16-29(26,27)24-14-4-3-10-18(24)21(25)23-13-7-15-28-19-11-5-8-17-9-6-12-22-20(17)19/h5-6,8-9,11-12,18H,2-4,7,10,13-16H2,1H3,(H,23,25)
InChIKeyFIAWXMCUNYTTJS-UHFFFAOYSA-N
XLogP2.71
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide
CID 56534694
(2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 56535222
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966193
1-propylsulfonyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 55618309
1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide
CID 55835325
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 53498297
N-(2-quinolin-8-yloxyethyl)cyclopentanamine
CID 62599062
1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide
CID 56534680
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55992784
1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide
CID 56534724

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide (CID 56585573) is 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)NCCCOc1cccc2cccnc12.
What is the InChIKey of 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide?
The InChIKey is FIAWXMCUNYTTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-2-16-29(26,27)24-14-4-3-10-18(24)21(25)23-13-7-15-28-19-11-5-8-17-9-6-12-22-20(17)19/h5-6,8-9,11-12,18H,2-4,7,10,13-16H2,1H3,(H,23,25).
What are the key properties of 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide?
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide is sourced from PubChem (CID 56585573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).