3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide

C11H18N4O3 — CID 56828234

IUPAC3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCNC(=O)C2)C1
InChIInChI=1S/C11H18N4O3/c12-11(18)15-4-1-2-8(6-15)10(17)14-5-3-13-9(16)7-14/h8H,1-7H2,(H2,12,18)(H,13,16)
InChIKeyKYJIQZDJWZHFGP-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.26
Rot. Bonds1

About 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide

3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 56828234) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
PubChem CID56828234
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCNC(=O)C2)C1
InChIInChI=1S/C11H18N4O3/c12-11(18)15-4-1-2-8(6-15)10(17)14-5-3-13-9(16)7-14/h8H,1-7H2,(H2,12,18)(H,13,16)
InChIKeyKYJIQZDJWZHFGP-UHFFFAOYSA-N
XLogP-1.26
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide (CID 56828234) is 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide is NC(=O)N1CCCC(C(=O)N2CCNC(=O)C2)C1.
What is the InChIKey of 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is KYJIQZDJWZHFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c12-11(18)15-4-1-2-8(6-15)10(17)14-5-3-13-9(16)7-14/h8H,1-7H2,(H2,12,18)(H,13,16).
What are the key properties of 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide?
3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 56828234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).