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

C19H37N3O3S — CID 3431379

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CC(C)CC(C)C2)C1
InChIInChI=1S/C19H37N3O3S/c1-4-11-26(24,25)22-10-5-7-18(15-22)19(23)20-8-6-9-21-13-16(2)12-17(3)14-21/h16-18H,4-15H2,1-3H3,(H,20,23)
InChIKeyGGDUWXDCTQOKOB-UHFFFAOYSA-N
MW387.59 g/mol
LogP1.92
Rot. Bonds8

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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3431379) has the molecular formula C19H37N3O3S and a molecular weight of 387.59 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3431379
Molecular FormulaC19H37N3O3S
Molecular Weight387.59 g/mol
Exact Mass387.26
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CC(C)CC(C)C2)C1
InChIInChI=1S/C19H37N3O3S/c1-4-11-26(24,25)22-10-5-7-18(15-22)19(23)20-8-6-9-21-13-16(2)12-17(3)14-21/h16-18H,4-15H2,1-3H3,(H,20,23)
InChIKeyGGDUWXDCTQOKOB-UHFFFAOYSA-N
XLogP1.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3431379) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CC(C)CC(C)C2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is GGDUWXDCTQOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3S/c1-4-11-26(24,25)22-10-5-7-18(15-22)19(23)20-8-6-9-21-13-16(2)12-17(3)14-21/h16-18H,4-15H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 387.59 g/mol, XLogP of 1.92, 8 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-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3431379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).