N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide

C12H21N3O3 — CID 114115158

IUPACN-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)C1CCOCC1
InChIInChI=1S/C12H21N3O3/c1-8(9-2-4-18-5-3-9)15-12(17)10-6-14-11(16)7-13-10/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyZDHLGGBPJKNZMV-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.99
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide

N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide (PubChem CID 114115158) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide
PubChem CID114115158
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)C1CCOCC1
InChIInChI=1S/C12H21N3O3/c1-8(9-2-4-18-5-3-9)15-12(17)10-6-14-11(16)7-13-10/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyZDHLGGBPJKNZMV-UHFFFAOYSA-N
XLogP-0.99
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
6-methyl-N-[1-(oxan-4-yl)ethyl]piperidine-2-carboxamide
CID 114115184
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107565066
N-[1-(oxan-4-yl)ethyl]morpholine-2-carboxamide
CID 103812297
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide (CID 114115158) is N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide is CC(NC(=O)C1CNC(=O)CN1)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is ZDHLGGBPJKNZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(9-2-4-18-5-3-9)15-12(17)10-6-14-11(16)7-13-10/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide?
N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 114115158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).