cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone

C16H23N3O — CID 110478194

IUPACcyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
SMILESCN(C)c1cccc(N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H23N3O/c1-17(2)14-4-3-5-15(12-14)18-8-10-19(11-9-18)16(20)13-6-7-13/h3-5,12-13H,6-11H2,1-2H3
InChIKeyPNDKIIWUVWJREW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.81
Rot. Bonds3

About cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone

cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone (PubChem CID 110478194) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
PubChem CID110478194
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Namecyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
SMILESCN(C)c1cccc(N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H23N3O/c1-17(2)14-4-3-5-15(12-14)18-8-10-19(11-9-18)16(20)13-6-7-13/h3-5,12-13H,6-11H2,1-2H3
InChIKeyPNDKIIWUVWJREW-UHFFFAOYSA-N
XLogP1.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate
CID 110477788
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
CID 113078439
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
CID 113080898
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149374
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
CID 110417503
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone (CID 110478194) is cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone is CN(C)c1cccc(N2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone?
The InChIKey is PNDKIIWUVWJREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17(2)14-4-3-5-15(12-14)18-8-10-19(11-9-18)16(20)13-6-7-13/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110478194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).