(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone

C16H23N3O — CID 170995564

IUPAC(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N)cc2C2CC2)CC1
InChIInChI=1S/C16H23N3O/c1-2-18-7-9-19(10-8-18)16(20)14-6-5-13(17)11-15(14)12-3-4-12/h5-6,11-12H,2-4,7-10,17H2,1H3
InChIKeyQMANVULKQBJLAQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.92
Rot. Bonds3

About (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone

(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 170995564) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID170995564
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N)cc2C2CC2)CC1
InChIInChI=1S/C16H23N3O/c1-2-18-7-9-19(10-8-18)16(20)14-6-5-13(17)11-15(14)12-3-4-12/h5-6,11-12H,2-4,7-10,17H2,1H3
InChIKeyQMANVULKQBJLAQ-UHFFFAOYSA-N
XLogP1.92
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 170995559
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
4-amino-2-cyclopropyl-N-propylbenzamide
CID 170995540
(2-amino-4-methylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 166594141
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 102704825
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(2,4-diaminophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62887479

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 170995564) is (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(N)cc2C2CC2)CC1.
What is the InChIKey of (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is QMANVULKQBJLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-18-7-9-19(10-8-18)16(20)14-6-5-13(17)11-15(14)12-3-4-12/h5-6,11-12H,2-4,7-10,17H2,1H3.
What are the key properties of (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone?
(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 170995564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).