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

C23H44N4O3S — CID 4185001

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)C1
InChIInChI=1S/C23H44N4O3S/c1-18-11-19(2)14-25(13-18)9-6-8-24-23(28)22-7-5-10-26(17-22)31(29,30)27-15-20(3)12-21(4)16-27/h18-22H,5-17H2,1-4H3,(H,24,28)
InChIKeyZUGGAWSIZWAEOC-UHFFFAOYSA-N
MW456.70 g/mol
LogP2.41
Rot. Bonds7

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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 4185001) has the molecular formula C23H44N4O3S and a molecular weight of 456.70 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID4185001
Molecular FormulaC23H44N4O3S
Molecular Weight456.70 g/mol
Exact Mass456.31
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)C1
InChIInChI=1S/C23H44N4O3S/c1-18-11-19(2)14-25(13-18)9-6-8-24-23(28)22-7-5-10-26(17-22)31(29,30)27-15-20(3)12-21(4)16-27/h18-22H,5-17H2,1-4H3,(H,24,28)
InChIKeyZUGGAWSIZWAEOC-UHFFFAOYSA-N
XLogP2.41
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.70
LogP ≤ 52.41
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-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 4185001) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CC(C)CN(CCCNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ZUGGAWSIZWAEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O3S/c1-18-11-19(2)14-25(13-18)9-6-8-24-23(28)22-7-5-10-26(17-22)31(29,30)27-15-20(3)12-21(4)16-27/h18-22H,5-17H2,1-4H3,(H,24,28).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 456.70 g/mol, XLogP of 2.41, 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-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4185001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).