(1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone

C18H26N2O — CID 82249953

IUPAC(1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CN(C(=O)C2(c3ccccc3)CCC2)CCN1
InChIInChI=1S/C18H26N2O/c1-14(2)16-13-20(12-11-19-16)17(21)18(9-6-10-18)15-7-4-3-5-8-15/h3-5,7-8,14,16,19H,6,9-13H2,1-2H3
InChIKeyQLUYJLOXIMQNHX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.56
Rot. Bonds3

About (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone

(1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 82249953) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone
PubChem CID82249953
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CN(C(=O)C2(c3ccccc3)CCC2)CCN1
InChIInChI=1S/C18H26N2O/c1-14(2)16-13-20(12-11-19-16)17(21)18(9-6-10-18)15-7-4-3-5-8-15/h3-5,7-8,14,16,19H,6,9-13H2,1-2H3
InChIKeyQLUYJLOXIMQNHX-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone (CID 82249953) is (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone is CC(C)C1CN(C(=O)C2(c3ccccc3)CCC2)CCN1.
What is the InChIKey of (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is QLUYJLOXIMQNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)16-13-20(12-11-19-16)17(21)18(9-6-10-18)15-7-4-3-5-8-15/h3-5,7-8,14,16,19H,6,9-13H2,1-2H3.
What are the key properties of (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone?
(1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 82249953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).