N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C20H38N4O3S — CID 3237702

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(C)N1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H38N4O3S/c1-17-7-6-8-18(2)24(17)16-11-21-20(25)19-9-14-23(15-10-19)28(26,27)22-12-4-3-5-13-22/h17-19H,3-16H2,1-2H3,(H,21,25)
InChIKeyMDVPOEOBOJUUMV-UHFFFAOYSA-N
MW414.62 g/mol
LogP1.81
Rot. Bonds6

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3237702) has the molecular formula C20H38N4O3S and a molecular weight of 414.62 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3237702
Molecular FormulaC20H38N4O3S
Molecular Weight414.62 g/mol
Exact Mass414.27
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(C)N1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H38N4O3S/c1-17-7-6-8-18(2)24(17)16-11-21-20(25)19-9-14-23(15-10-19)28(26,27)22-12-4-3-5-13-22/h17-19H,3-16H2,1-2H3,(H,21,25)
InChIKeyMDVPOEOBOJUUMV-UHFFFAOYSA-N
XLogP1.81
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3237702) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is CC1CCCC(C)N1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is MDVPOEOBOJUUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3S/c1-17-7-6-8-18(2)24(17)16-11-21-20(25)19-9-14-23(15-10-19)28(26,27)22-12-4-3-5-13-22/h17-19H,3-16H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 414.62 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3237702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).