1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

C22H42N4O3S — CID 3320932

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCCCC3C)C2)C1
InChIInChI=1S/C22H42N4O3S/c1-18-14-19(2)16-26(15-18)30(28,29)25-13-6-9-21(17-25)22(27)23-10-7-12-24-11-5-4-8-20(24)3/h18-21H,4-17H2,1-3H3,(H,23,27)
InChIKeyGBFDVYUKMCIYNN-UHFFFAOYSA-N
MW442.67 g/mol
LogP2.30
Rot. Bonds7

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 3320932) has the molecular formula C22H42N4O3S and a molecular weight of 442.67 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID3320932
Molecular FormulaC22H42N4O3S
Molecular Weight442.67 g/mol
Exact Mass442.30
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCCCC3C)C2)C1
InChIInChI=1S/C22H42N4O3S/c1-18-14-19(2)16-26(15-18)30(28,29)25-13-6-9-21(17-25)22(27)23-10-7-12-24-11-5-4-8-20(24)3/h18-21H,4-17H2,1-3H3,(H,23,27)
InChIKeyGBFDVYUKMCIYNN-UHFFFAOYSA-N
XLogP2.30
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 52.30
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 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (CID 3320932) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCCCC3C)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is GBFDVYUKMCIYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O3S/c1-18-14-19(2)16-26(15-18)30(28,29)25-13-6-9-21(17-25)22(27)23-10-7-12-24-11-5-4-8-20(24)3/h18-21H,4-17H2,1-3H3,(H,23,27).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 442.67 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 3320932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).