N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide

C10H19N3O — CID 60924926

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-10(14)11-4-5-13-8-6-12(2)7-9-13/h3H,1,4-9H2,2H3,(H,11,14)
InChIKeyDKRIEHLNKUQSFI-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.46
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide

N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide (PubChem CID 60924926) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide
PubChem CID60924926
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-10(14)11-4-5-13-8-6-12(2)7-9-13/h3H,1,4-9H2,2H3,(H,11,14)
InChIKeyDKRIEHLNKUQSFI-UHFFFAOYSA-N
XLogP-0.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.46
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-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
Nigragillin
CID 71454343
1-(4-Methylpiperazin-1-yl)prop-2-en-1-one
CID 13742939
2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
N-(2-aminoethyl)acrylamide
CID 152664
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide (CID 60924926) is N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide is C=CC(=O)NCCN1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide?
The InChIKey is DKRIEHLNKUQSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-10(14)11-4-5-13-8-6-12(2)7-9-13/h3H,1,4-9H2,2H3,(H,11,14).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 60924926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).