1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide

C20H38N4O3S — CID 20911412

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCCCC3)C2)CC1
InChIInChI=1S/C20H38N4O3S/c1-18-8-15-23(16-9-18)28(26,27)24-14-5-7-19(17-24)20(25)21-10-6-13-22-11-3-2-4-12-22/h18-19H,2-17H2,1H3,(H,21,25)
InChIKeyWCVKACAHISTBTI-UHFFFAOYSA-N
MW414.62 g/mol
LogP1.67
Rot. Bonds7

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 20911412) has the molecular formula C20H38N4O3S and a molecular weight of 414.62 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
PubChem CID20911412
Molecular FormulaC20H38N4O3S
Molecular Weight414.62 g/mol
Exact Mass414.27
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCCCC3)C2)CC1
InChIInChI=1S/C20H38N4O3S/c1-18-8-15-23(16-9-18)28(26,27)24-14-5-7-19(17-24)20(25)21-10-6-13-22-11-3-2-4-12-22/h18-19H,2-17H2,1H3,(H,21,25)
InChIKeyWCVKACAHISTBTI-UHFFFAOYSA-N
XLogP1.67
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 51.67
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-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide (CID 20911412) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCCCC3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is WCVKACAHISTBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3S/c1-18-8-15-23(16-9-18)28(26,27)24-14-5-7-19(17-24)20(25)21-10-6-13-22-11-3-2-4-12-22/h18-19H,2-17H2,1H3,(H,21,25).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 414.62 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 20911412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).