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

C17H34N4O3S — CID 3245025

IUPACN-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H34N4O3S/c1-3-19(4-2)15-10-18-17(22)16-8-13-21(14-9-16)25(23,24)20-11-6-5-7-12-20/h16H,3-15H2,1-2H3,(H,18,22)
InChIKeyAKXJZDMUWXYBBJ-UHFFFAOYSA-N
MW374.55 g/mol
LogP0.89
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3245025) has the molecular formula C17H34N4O3S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3245025
Molecular FormulaC17H34N4O3S
Molecular Weight374.55 g/mol
Exact Mass374.24
IUPAC NameN-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H34N4O3S/c1-3-19(4-2)15-10-18-17(22)16-8-13-21(14-9-16)25(23,24)20-11-6-5-7-12-20/h16H,3-15H2,1-2H3,(H,18,22)
InChIKeyAKXJZDMUWXYBBJ-UHFFFAOYSA-N
XLogP0.89
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3245025) is N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AKXJZDMUWXYBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3S/c1-3-19(4-2)15-10-18-17(22)16-8-13-21(14-9-16)25(23,24)20-11-6-5-7-12-20/h16H,3-15H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 374.55 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3245025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).