N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide

C11H22N4O2 — CID 55005313

IUPACN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)N1CCNCC1
InChIInChI=1S/C11H22N4O2/c1-9(2)13-10(16)8-14(3)11(17)15-6-4-12-5-7-15/h9,12H,4-8H2,1-3H3,(H,13,16)
InChIKeyGMFTXMZSUIVBDN-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.53
Rot. Bonds3

About N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide

N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide (PubChem CID 55005313) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
PubChem CID55005313
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)N1CCNCC1
InChIInChI=1S/C11H22N4O2/c1-9(2)13-10(16)8-14(3)11(17)15-6-4-12-5-7-15/h9,12H,4-8H2,1-3H3,(H,13,16)
InChIKeyGMFTXMZSUIVBDN-UHFFFAOYSA-N
XLogP-0.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119272093
N-butan-2-yl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904286
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperazin-1-ylacetamide
CID 43348706
1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
N-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 16791160
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
2-(1,4-diazepan-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 43374352
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 112701223
N-(3-methoxypropyl)-N-methylpiperazine-1-carboxamide
CID 62983933

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide (CID 55005313) is N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide is CC(C)NC(=O)CN(C)C(=O)N1CCNCC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is GMFTXMZSUIVBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(2)13-10(16)8-14(3)11(17)15-6-4-12-5-7-15/h9,12H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide?
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 55005313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).