[4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone

C18H27N3O — CID 889032

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)N3CCCCC3)CC2)c1C
InChIInChI=1S/C18H27N3O/c1-15-7-6-8-17(16(15)2)19-11-13-21(14-12-19)18(22)20-9-4-3-5-10-20/h6-8H,3-5,9-14H2,1-2H3
InChIKeyZPDAUOSCESSTHF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.03
Rot. Bonds1

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 889032) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone
PubChem CID889032
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)N3CCCCC3)CC2)c1C
InChIInChI=1S/C18H27N3O/c1-15-7-6-8-17(16(15)2)19-11-13-21(14-12-19)18(22)20-9-4-3-5-10-20/h6-8H,3-5,9-14H2,1-2H3
InChIKeyZPDAUOSCESSTHF-UHFFFAOYSA-N
XLogP3.03
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone (CID 889032) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone is Cc1cccc(N2CCN(C(=O)N3CCCCC3)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is ZPDAUOSCESSTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-15-7-6-8-17(16(15)2)19-11-13-21(14-12-19)18(22)20-9-4-3-5-10-20/h6-8H,3-5,9-14H2,1-2H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 301.43 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 889032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).