N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide

C9H17N3O3 — CID 107433403

IUPACN-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
SMILESCOCC(C)NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C9H17N3O3/c1-6(5-15-2)12-9(14)7-3-11-8(13)4-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyQAMHQMISLJMKON-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.77
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide

N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide (PubChem CID 107433403) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
PubChem CID107433403
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
SMILESCOCC(C)NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C9H17N3O3/c1-6(5-15-2)12-9(14)7-3-11-8(13)4-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyQAMHQMISLJMKON-UHFFFAOYSA-N
XLogP-1.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107434854
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24693482
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide
CID 107435769
(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107565066
N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 114115158
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide (CID 107433403) is N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide is COCC(C)NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide?
The InChIKey is QAMHQMISLJMKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(5-15-2)12-9(14)7-3-11-8(13)4-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide?
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide has a molecular weight of 215.25 g/mol, XLogP of -1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107433403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).