N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide

C12H20N4O3 — CID 107437023

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCCCC(=O)NC2CC2)CN1
InChIInChI=1S/C12H20N4O3/c17-10(16-8-3-4-8)2-1-5-13-12(19)9-6-15-11(18)7-14-9/h8-9,14H,1-7H2,(H,13,19)(H,15,18)(H,16,17)
InChIKeyIIGBRUMNLTWDQO-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.75
Rot. Bonds6

About N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107437023) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
PubChem CID107437023
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCCCC(=O)NC2CC2)CN1
InChIInChI=1S/C12H20N4O3/c17-10(16-8-3-4-8)2-1-5-13-12(19)9-6-15-11(18)7-14-9/h8-9,14H,1-7H2,(H,13,19)(H,15,18)(H,16,17)
InChIKeyIIGBRUMNLTWDQO-UHFFFAOYSA-N
XLogP-1.75
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide
CID 112728892
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
CID 79401002
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide
CID 107435457
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide
CID 107437601
5-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2-carboxamide
CID 106428188
5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
CID 106390933

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide (CID 107437023) is N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)NCCCC(=O)NC2CC2)CN1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is IIGBRUMNLTWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c17-10(16-8-3-4-8)2-1-5-13-12(19)9-6-15-11(18)7-14-9/h8-9,14H,1-7H2,(H,13,19)(H,15,18)(H,16,17).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).