N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide

C19H27N3O2S — CID 110813116

IUPACN-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
SMILESCSc1ccc(CC(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O2S/c1-25-17-8-6-15(7-9-17)14-18(23)21-10-12-22(13-11-21)19(24)20-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3,(H,20,24)
InChIKeyZJDUWHMKCGVQEL-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.75
Rot. Bonds4

About N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide

N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide (PubChem CID 110813116) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
PubChem CID110813116
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
SMILESCSc1ccc(CC(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O2S/c1-25-17-8-6-15(7-9-17)14-18(23)21-10-12-22(13-11-21)19(24)20-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3,(H,20,24)
InChIKeyZJDUWHMKCGVQEL-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813016
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771209
N-cyclohexyl-4-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]piperidine-1-carboxamide
CID 86875268
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
methyl 4-[2-(4-methylsulfanylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808896
1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771210
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-one
CID 82486070
N-cyclohexyl-4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazine-1-carboxamide
CID 55634536
N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide
CID 110813196

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide (CID 110813116) is N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide is CSc1ccc(CC(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is ZJDUWHMKCGVQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-25-17-8-6-15(7-9-17)14-18(23)21-10-12-22(13-11-21)19(24)20-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3,(H,20,24).
What are the key properties of N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide?
N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110813116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).