2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone

C16H25N3O — CID 106151658

IUPAC2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)C(N)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-8-18-9-11-19(12-10-18)16(20)15(17)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12,17H2,1-2H3
InChIKeyJMSDWSJOZIRSJB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone

2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone (PubChem CID 106151658) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
PubChem CID106151658
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)C(N)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-8-18-9-11-19(12-10-18)16(20)15(17)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12,17H2,1-2H3
InChIKeyJMSDWSJOZIRSJB-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312078
4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 120667255
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
2-amino-2-(4-methylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 120669397
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668146
2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115285943
2-amino-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667526
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667469
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone (CID 106151658) is 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(C(=O)C(N)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is JMSDWSJOZIRSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-8-18-9-11-19(12-10-18)16(20)15(17)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12,17H2,1-2H3.
What are the key properties of 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone?
2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 275.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 106151658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).