N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

C18H22ClN3OS — CID 3717878

IUPACN-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CCc3cccs3)CC2)cc1Cl
InChIInChI=1S/C18H22ClN3OS/c1-14-4-5-15(13-17(14)19)20-18(23)22-10-8-21(9-11-22)7-6-16-3-2-12-24-16/h2-5,12-13H,6-11H2,1H3,(H,20,23)
InChIKeyNYYHCAWJWPUNEW-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.10
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (PubChem CID 3717878) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
PubChem CID3717878
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CCc3cccs3)CC2)cc1Cl
InChIInChI=1S/C18H22ClN3OS/c1-14-4-5-15(13-17(14)19)20-18(23)22-10-8-21(9-11-22)7-6-16-3-2-12-24-16/h2-5,12-13H,6-11H2,1H3,(H,20,23)
InChIKeyNYYHCAWJWPUNEW-UHFFFAOYSA-N
XLogP4.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 23824710
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860
4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 3297635
4-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 55971367
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 38275398
N-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 38275394
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (CID 3717878) is N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(CCc3cccs3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is NYYHCAWJWPUNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-14-4-5-15(13-17(14)19)20-18(23)22-10-8-21(9-11-22)7-6-16-3-2-12-24-16/h2-5,12-13H,6-11H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 363.91 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 3717878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).