N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide

C18H21N3O2S — CID 122146787

IUPACN-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3cscc3C)CC2)c1
InChIInChI=1S/C18H21N3O2S/c1-13-4-3-5-15(10-13)19-18(23)21-8-6-20(7-9-21)17(22)16-12-24-11-14(16)2/h3-5,10-12H,6-9H2,1-2H3,(H,19,23)
InChIKeyVUSJLYOFFNJKQB-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.35
Rot. Bonds2

About N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide

N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide (PubChem CID 122146787) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide
PubChem CID122146787
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3cscc3C)CC2)c1
InChIInChI=1S/C18H21N3O2S/c1-13-4-3-5-15(10-13)19-18(23)21-8-6-20(7-9-21)17(22)16-12-24-11-14(16)2/h3-5,10-12H,6-9H2,1-2H3,(H,19,23)
InChIKeyVUSJLYOFFNJKQB-UHFFFAOYSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119765351
N-(3-methylphenyl)-4-(5-nitrothiophene-2-carbonyl)piperazine-1-carboxamide
CID 60502105
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119765353
N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide
CID 56509941
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
N-(3-methylphenyl)-4-(3-nitrobenzoyl)piperazine-1-carboxamide
CID 49467498
4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56510461
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide (CID 122146787) is N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(C(=O)c3cscc3C)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is VUSJLYOFFNJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13-4-3-5-15(10-13)19-18(23)21-8-6-20(7-9-21)17(22)16-12-24-11-14(16)2/h3-5,10-12H,6-9H2,1-2H3,(H,19,23).
What are the key properties of N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide?
N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 122146787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).