N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C19H36N4O3S — CID 3238739

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H36N4O3S/c1-17-7-3-6-11-21(17)16-10-20-19(24)18-8-14-23(15-9-18)27(25,26)22-12-4-2-5-13-22/h17-18H,2-16H2,1H3,(H,20,24)
InChIKeyZUWYGLBUEWSLQE-UHFFFAOYSA-N
MW400.59 g/mol
LogP1.42
Rot. Bonds6

About N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3238739) has the molecular formula C19H36N4O3S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3238739
Molecular FormulaC19H36N4O3S
Molecular Weight400.59 g/mol
Exact Mass400.25
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H36N4O3S/c1-17-7-3-6-11-21(17)16-10-20-19(24)18-8-14-23(15-9-18)27(25,26)22-12-4-2-5-13-22/h17-18H,2-16H2,1H3,(H,20,24)
InChIKeyZUWYGLBUEWSLQE-UHFFFAOYSA-N
XLogP1.42
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3238739) is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is CC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZUWYGLBUEWSLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3S/c1-17-7-3-6-11-21(17)16-10-20-19(24)18-8-14-23(15-9-18)27(25,26)22-12-4-2-5-13-22/h17-18H,2-16H2,1H3,(H,20,24).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 400.59 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3238739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).