4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide

C13H26N4O3S — CID 43771746

IUPAC4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-2-21(19,20)17-9-5-12(6-10-17)15-11-3-7-16(8-4-11)13(14)18/h11-12,15H,2-10H2,1H3,(H2,14,18)
InChIKeyYIKDRCUCLZUJKE-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.07
Rot. Bonds4

About 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide

4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide (PubChem CID 43771746) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide
PubChem CID43771746
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-2-21(19,20)17-9-5-12(6-10-17)15-11-3-7-16(8-4-11)13(14)18/h11-12,15H,2-10H2,1H3,(H2,14,18)
InChIKeyYIKDRCUCLZUJKE-UHFFFAOYSA-N
XLogP-0.07
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide?
The IUPAC name of 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide (CID 43771746) is 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide is CCS(=O)(=O)N1CCC(NC2CCN(C(N)=O)CC2)CC1.
What is the InChIKey of 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide?
The InChIKey is YIKDRCUCLZUJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-2-21(19,20)17-9-5-12(6-10-17)15-11-3-7-16(8-4-11)13(14)18/h11-12,15H,2-10H2,1H3,(H2,14,18).
What are the key properties of 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide?
4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide has a molecular weight of 318.44 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylsulfonylpiperidin-4-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 43771746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).