N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide

C18H35N3O3S — CID 3636218

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H35N3O3S/c1-4-25(23,24)21-10-6-17(7-11-21)18(22)19-8-5-9-20-13-15(2)12-16(3)14-20/h15-17H,4-14H2,1-3H3,(H,19,22)
InChIKeyDYDLHKBASLPSIX-UHFFFAOYSA-N
MW373.56 g/mol
LogP1.53
Rot. Bonds7

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3636218) has the molecular formula C18H35N3O3S and a molecular weight of 373.56 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3636218
Molecular FormulaC18H35N3O3S
Molecular Weight373.56 g/mol
Exact Mass373.24
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H35N3O3S/c1-4-25(23,24)21-10-6-17(7-11-21)18(22)19-8-5-9-20-13-15(2)12-16(3)14-20/h15-17H,4-14H2,1-3H3,(H,19,22)
InChIKeyDYDLHKBASLPSIX-UHFFFAOYSA-N
XLogP1.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3238894
1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3243710
N-[3-(1-azepanyl)propyl]-1-ethylsulfonyl-4-piperidinecarboxamide
CID 3244583
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
N-[3-(Dipropylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 16034200
N-{3-[Butyl(methyl)amino]propyl}-1-(propane-1-sulfonyl)piperidine-4-carboxamide
CID 16034251
N-(4-methylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3242270
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3245033
N-[3-(diethylamino)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 4087817

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 3636218) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCCN2CC(C)CC(C)C2)CC1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is DYDLHKBASLPSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3S/c1-4-25(23,24)21-10-6-17(7-11-21)18(22)19-8-5-9-20-13-15(2)12-16(3)14-20/h15-17H,4-14H2,1-3H3,(H,19,22).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 373.56 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3636218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).