N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide

C9H17N3O — CID 54439404

IUPACN-(1,4-dimethylpiperazin-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C)CCN1C
InChIInChI=1S/C9H17N3O/c1-4-9(13)10-8-7-11(2)5-6-12(8)3/h4,8H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyWNAFDOQZWQXFQI-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.51
Rot. Bonds2

About N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide

N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide (PubChem CID 54439404) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,4-dimethylpiperazin-2-yl)prop-2-enamide
PubChem CID54439404
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(1,4-dimethylpiperazin-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C)CCN1C
InChIInChI=1S/C9H17N3O/c1-4-9(13)10-8-7-11(2)5-6-12(8)3/h4,8H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyWNAFDOQZWQXFQI-UHFFFAOYSA-N
XLogP-0.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.51
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-(1,4-dimethylpiperazin-2-yl)prop-2-enamide?
The IUPAC name of N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide (CID 54439404) is N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide is C=CC(=O)NC1CN(C)CCN1C.
What is the InChIKey of N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide?
The InChIKey is WNAFDOQZWQXFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-9(13)10-8-7-11(2)5-6-12(8)3/h4,8H,1,5-7H2,2-3H3,(H,10,13).
What are the key properties of N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide?
N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide is sourced from PubChem (CID 54439404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).