N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide

C15H22ClN3OS — CID 119058526

IUPACN-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
SMILESCSCCN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3OS/c1-21-11-10-18-6-8-19(9-7-18)15(20)17-12-13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyCNZDNCARFLKYHX-UHFFFAOYSA-N
MW327.88 g/mol
LogP2.53
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide (PubChem CID 119058526) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
PubChem CID119058526
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
SMILESCSCCN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3OS/c1-21-11-10-18-6-8-19(9-7-18)15(20)17-12-13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyCNZDNCARFLKYHX-UHFFFAOYSA-N
XLogP2.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
N-[(3-methylphenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119063808
methyl 4-[(4-chlorophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 108899356
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 109018277
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
CID 118767630
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide (CID 119058526) is N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide is CSCCN1CCN(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide?
The InChIKey is CNZDNCARFLKYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c1-21-11-10-18-6-8-19(9-7-18)15(20)17-12-13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3,(H,17,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide has a molecular weight of 327.88 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 119058526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).