1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone

C11H18N2O3 — CID 60637500

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H18N2O3/c1-16-8-10(14)12-4-6-13(7-5-12)11(15)9-2-3-9/h9H,2-8H2,1H3
InChIKeyWHZDNMIRJWUUDP-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.29
Rot. Bonds3

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 60637500) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID60637500
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H18N2O3/c1-16-8-10(14)12-4-6-13(7-5-12)11(15)9-2-3-9/h9H,2-8H2,1H3
InChIKeyWHZDNMIRJWUUDP-UHFFFAOYSA-N
XLogP-0.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709
4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 78983107
cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93378488
5-[4-(2-methoxyacetyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688160
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
2-methoxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562753
2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562754
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone (CID 60637500) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is WHZDNMIRJWUUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-8-10(14)12-4-6-13(7-5-12)11(15)9-2-3-9/h9H,2-8H2,1H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 226.28 g/mol, XLogP of -0.29, 3 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-methoxyethanone is sourced from PubChem (CID 60637500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).