2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C18H21N3O2S — CID 120666745

IUPAC2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(N)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H21N3O2S/c1-13-4-6-14(7-5-13)16(19)18(23)21-10-8-20(9-11-21)17(22)15-3-2-12-24-15/h2-7,12,16H,8-11,19H2,1H3
InChIKeyACMHBNKDAIPKGY-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.04
Rot. Bonds3

About 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 120666745) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID120666745
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(N)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H21N3O2S/c1-13-4-6-14(7-5-13)16(19)18(23)21-10-8-20(9-11-21)17(22)15-3-2-12-24-15/h2-7,12,16H,8-11,19H2,1H3
InChIKeyACMHBNKDAIPKGY-UHFFFAOYSA-N
XLogP2.04
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667526
N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 124507220
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668170
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667469
5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 104684820
2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667079
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42110651

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 120666745) is 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(C(N)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ACMHBNKDAIPKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13-4-6-14(7-5-13)16(19)18(23)21-10-8-20(9-11-21)17(22)15-3-2-12-24-15/h2-7,12,16H,8-11,19H2,1H3.
What are the key properties of 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 343.45 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120666745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).