1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone

C16H27N3O2 — CID 87013516

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone
SMILESC=C(C)CN(CC)CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H27N3O2/c1-4-17(11-13(2)3)12-15(20)18-7-9-19(10-8-18)16(21)14-5-6-14/h14H,2,4-12H2,1,3H3
InChIKeyOKSQGKROVGCFML-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.97
Rot. Bonds6

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone (PubChem CID 87013516) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone
PubChem CID87013516
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone
SMILESC=C(C)CN(CC)CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H27N3O2/c1-4-17(11-13(2)3)12-15(20)18-7-9-19(10-8-18)16(21)14-5-6-14/h14H,2,4-12H2,1,3H3
InChIKeyOKSQGKROVGCFML-UHFFFAOYSA-N
XLogP0.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 87013515
2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120635729
2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 60503998
2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 55827589
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
CID 120799860

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone (CID 87013516) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone is C=C(C)CN(CC)CC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone?
The InChIKey is OKSQGKROVGCFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-17(11-13(2)3)12-15(20)18-7-9-19(10-8-18)16(21)14-5-6-14/h14H,2,4-12H2,1,3H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone has a molecular weight of 293.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone is sourced from PubChem (CID 87013516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).