N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide

C10H19N3O — CID 91582554

IUPACN-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CC)C1CNCCN1C
InChIInChI=1S/C10H19N3O/c1-4-10(14)13(5-2)9-8-11-6-7-12(9)3/h4,9,11H,1,5-8H2,2-3H3
InChIKeyOJLBHHMREFFLSS-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.12
Rot. Bonds3

About N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide

N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide (PubChem CID 91582554) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide
PubChem CID91582554
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CC)C1CNCCN1C
InChIInChI=1S/C10H19N3O/c1-4-10(14)13(5-2)9-8-11-6-7-12(9)3/h4,9,11H,1,5-8H2,2-3H3
InChIKeyOJLBHHMREFFLSS-UHFFFAOYSA-N
XLogP-0.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-((Dibutylamino)methyl)acrylamide
CID 92692
1,3-Dimethyl-6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 12816873
N,N-(dimethylamino)propylacrylamide
CID 19831617
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
2-piperazin-1-ylethanamine;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 161696765
N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 12600526
N-[(dimethylamino)methyl]prop-2-enamide;dimethyl-bis(prop-2-enyl)azanium;chloride
CID 44150303
3-[1-(2-aminoethyl)piperazin-1-ium-1-yl]-N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 123225505
Trimethyl-[1-(prop-2-enoylamino)propyl]azanium chloride
CID 11160059
Trimethyl-[1-(prop-2-enoylamino)propyl]azanium
CID 11160060
N-[1-(dimethylamino)ethyl]prop-2-enamide;prop-2-en-1-amine
CID 17973364
N-[1-(dimethylamino)ethyl]prop-2-enamide
CID 17973365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide (CID 91582554) is N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide is C=CC(=O)N(CC)C1CNCCN1C.
What is the InChIKey of N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide?
The InChIKey is OJLBHHMREFFLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-10(14)13(5-2)9-8-11-6-7-12(9)3/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide?
N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide is sourced from PubChem (CID 91582554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).