N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide

C13H22N4O3 — CID 83191736

IUPACN-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H22N4O3/c1-2-15-12(19)10-8-14-5-6-17(10)13(20)9-3-4-11(18)16-7-9/h9-10,14H,2-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyJWPUGBUZLFGQOW-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.55
Rot. Bonds3

About N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide

N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 83191736) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide
PubChem CID83191736
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H22N4O3/c1-2-15-12(19)10-8-14-5-6-17(10)13(20)9-3-4-11(18)16-7-9/h9-10,14H,2-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyJWPUGBUZLFGQOW-UHFFFAOYSA-N
XLogP-1.55
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide (CID 83191736) is N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide is CCNC(=O)C1CNCCN1C(=O)C1CCC(=O)NC1.
What is the InChIKey of N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is JWPUGBUZLFGQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-2-15-12(19)10-8-14-5-6-17(10)13(20)9-3-4-11(18)16-7-9/h9-10,14H,2-8H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide?
N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-oxopiperidine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 83191736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).