N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide

C11H18N4O3 — CID 107437497

IUPACN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)C(=O)NC1CC1
InChIInChI=1S/C11H18N4O3/c1-6(10(17)15-7-2-3-7)14-11(18)8-4-13-9(16)5-12-8/h6-8,12H,2-5H2,1H3,(H,13,16)(H,14,18)(H,15,17)
InChIKeyIUAROLLKFJGFJI-UHFFFAOYSA-N
MW254.29 g/mol
LogP-2.14
Rot. Bonds4

About N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide

N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide (PubChem CID 107437497) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
PubChem CID107437497
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)C(=O)NC1CC1
InChIInChI=1S/C11H18N4O3/c1-6(10(17)15-7-2-3-7)14-11(18)8-4-13-9(16)5-12-8/h6-8,12H,2-5H2,1H3,(H,13,16)(H,14,18)(H,15,17)
InChIKeyIUAROLLKFJGFJI-UHFFFAOYSA-N
XLogP-2.14
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide
CID 113408101
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 114115158
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403
2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
CID 107435207
5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide
CID 107437601
5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
CID 107437023
N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107434854

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide (CID 107437497) is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide is CC(NC(=O)C1CNC(=O)CN1)C(=O)NC1CC1.
What is the InChIKey of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide?
The InChIKey is IUAROLLKFJGFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6(10(17)15-7-2-3-7)14-11(18)8-4-13-9(16)5-12-8/h6-8,12H,2-5H2,1H3,(H,13,16)(H,14,18)(H,15,17).
What are the key properties of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide?
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -2.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).