3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile

C19H23N3O — CID 66686098

IUPAC3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile
SMILESN#Cc1cccc(C2CC2C(=O)N2CCN(C3CCC3)CC2)c1
InChIInChI=1S/C19H23N3O/c20-13-14-3-1-4-15(11-14)17-12-18(17)19(23)22-9-7-21(8-10-22)16-5-2-6-16/h1,3-4,11,16-18H,2,5-10,12H2
InChIKeyJKPJWTDIXZCJPK-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.36
Rot. Bonds3

About 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile

3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile (PubChem CID 66686098) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile
PubChem CID66686098
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile
SMILESN#Cc1cccc(C2CC2C(=O)N2CCN(C3CCC3)CC2)c1
InChIInChI=1S/C19H23N3O/c20-13-14-3-1-4-15(11-14)17-12-18(17)19(23)22-9-7-21(8-10-22)16-5-2-6-16/h1,3-4,11,16-18H,2,5-10,12H2
InChIKeyJKPJWTDIXZCJPK-UHFFFAOYSA-N
XLogP2.36
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile?
The IUPAC name of 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile (CID 66686098) is 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile.
What is the SMILES notation for 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile?
The canonical SMILES for 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile is N#Cc1cccc(C2CC2C(=O)N2CCN(C3CCC3)CC2)c1.
What is the InChIKey of 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile?
The InChIKey is JKPJWTDIXZCJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-13-14-3-1-4-15(11-14)17-12-18(17)19(23)22-9-7-21(8-10-22)16-5-2-6-16/h1,3-4,11,16-18H,2,5-10,12H2.
What are the key properties of 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile?
3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile has a molecular weight of 309.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile is sourced from PubChem (CID 66686098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).