1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one

C10H19N3O — CID 89243877

IUPAC1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one
SMILESC=C(NCCC)C(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O/c1-3-4-12-9(2)10(14)13-7-5-11-6-8-13/h11-12H,2-8H2,1H3
InChIKeyMCUSSIBPGVPSKD-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.07
Rot. Bonds4

About 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one

1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one (PubChem CID 89243877) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one
PubChem CID89243877
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one
SMILESC=C(NCCC)C(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O/c1-3-4-12-9(2)10(14)13-7-5-11-6-8-13/h11-12H,2-8H2,1H3
InChIKeyMCUSSIBPGVPSKD-UHFFFAOYSA-N
XLogP-0.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-butan-2-ylprop-2-enamide
CID 45119268
2-acetamido-N-propan-2-ylprop-2-enamide
CID 76315086
2-acetamido-N-ethylprop-2-enamide
CID 76315090
2-acetamido-N-propylprop-2-enamide
CID 76329580
3-Methylene-2,5-piperazinedione
CID 18007917
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
Methylidenepiperazine-2-one
CID 67575125
N-(3-oxo-3-piperidin-1-ylprop-1-en-2-yl)acetamide
CID 76333253
1-Acetyl-3-eth-(Z)-ylidene-piperazine-2,5-dione
CID 15176645
2-Acetamido-N,N-diethylprop-2-enamide
CID 45119415
2,3-bis(4-methylpiperazin-1-yl)-N-propylprop-2-enamide
CID 90760636
Methylen-methyl-diketopiperazin
CID 129639985

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one?
The IUPAC name of 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one (CID 89243877) is 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one.
What is the SMILES notation for 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one?
The canonical SMILES for 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one is C=C(NCCC)C(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one?
The InChIKey is MCUSSIBPGVPSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-12-9(2)10(14)13-7-5-11-6-8-13/h11-12H,2-8H2,1H3.
What are the key properties of 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one?
1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one has a molecular weight of 197.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(propylamino)prop-2-en-1-one is sourced from PubChem (CID 89243877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).