[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone

C14H22N2O2 — CID 4138233

IUPAC[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone
SMILESCC1CN(C(=O)C2CC2)C(C)CN1C(=O)C1CC1
InChIInChI=1S/C14H22N2O2/c1-9-7-16(14(18)12-5-6-12)10(2)8-15(9)13(17)11-3-4-11/h9-12H,3-8H2,1-2H3
InChIKeyKUDWOAQTUJICJT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.25
Rot. Bonds2

About [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone

[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone (PubChem CID 4138233) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone
PubChem CID4138233
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone
SMILESCC1CN(C(=O)C2CC2)C(C)CN1C(=O)C1CC1
InChIInChI=1S/C14H22N2O2/c1-9-7-16(14(18)12-5-6-12)10(2)8-15(9)13(17)11-3-4-11/h9-12H,3-8H2,1-2H3
InChIKeyKUDWOAQTUJICJT-UHFFFAOYSA-N
XLogP1.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone (CID 4138233) is [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone is CC1CN(C(=O)C2CC2)C(C)CN1C(=O)C1CC1.
What is the InChIKey of [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone?
The InChIKey is KUDWOAQTUJICJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-16(14(18)12-5-6-12)10(2)8-15(9)13(17)11-3-4-11/h9-12H,3-8H2,1-2H3.
What are the key properties of [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone?
[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone has a molecular weight of 250.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 4138233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).