N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide

C10H19N3O2 — CID 82508662

IUPACN-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide
SMILESCC(CN(C)C=O)C(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O2/c1-9(7-12(2)8-14)10(15)13-5-3-11-4-6-13/h8-9,11H,3-7H2,1-2H3
InChIKeyYPNXSGIPRJSIEP-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.86
Rot. Bonds4

About N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide

N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide (PubChem CID 82508662) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide
PubChem CID82508662
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide
SMILESCC(CN(C)C=O)C(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O2/c1-9(7-12(2)8-14)10(15)13-5-3-11-4-6-13/h8-9,11H,3-7H2,1-2H3
InChIKeyYPNXSGIPRJSIEP-UHFFFAOYSA-N
XLogP-0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
N-{2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl}-2,2-dimethylpropanamide
CID 832086
2-Methyl-1-(piperazin-1-yl)propan-1-one
CID 2761409
1-(4-Acetylpiperazin-1-yl)-3-aminopropan-1-one--hydrogen chloride (1/1)
CID 2756284
3-Amino-1-(4-methylpiperazin-1-yl)propan-1-one
CID 2756502
1-(2,2-Dimethylpropanoyl)piperazine
CID 2761408
2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochloride
CID 16248995
3-(Methylamino)-1-(4-methylpiperazin-1-yl)propan-1-one dihydrochloride
CID 146049370
1-(4-Acetylpiperazin-1-yl)-3-aminopropan-1-one
CID 2756285
3-(Methylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 22010870
N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 59935062
1-(4-Fluoropiperazin-4-ium-1-yl)-2-methylpropan-1-one
CID 143639860

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide?
The IUPAC name of N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide (CID 82508662) is N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide.
What is the SMILES notation for N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide?
The canonical SMILES for N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide is CC(CN(C)C=O)C(=O)N1CCNCC1.
What is the InChIKey of N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide?
The InChIKey is YPNXSGIPRJSIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-9(7-12(2)8-14)10(15)13-5-3-11-4-6-13/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide?
N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide has a molecular weight of 213.28 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide is sourced from PubChem (CID 82508662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).