N-cyclopentyl-4-phenylpiperazine-1-carbothioamide

C16H23N3S — CID 892113

IUPACN-cyclopentyl-4-phenylpiperazine-1-carbothioamide
SMILESS=C(NC1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H23N3S/c20-16(17-14-6-4-5-7-14)19-12-10-18(11-13-19)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,17,20)
InChIKeyCVPYPBGDWRFLJU-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.63
Rot. Bonds2

About N-cyclopentyl-4-phenylpiperazine-1-carbothioamide

N-cyclopentyl-4-phenylpiperazine-1-carbothioamide (PubChem CID 892113) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-cyclopentyl-4-phenylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopentyl-4-phenylpiperazine-1-carbothioamide
PubChem CID892113
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-cyclopentyl-4-phenylpiperazine-1-carbothioamide
SMILESS=C(NC1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H23N3S/c20-16(17-14-6-4-5-7-14)19-12-10-18(11-13-19)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,17,20)
InChIKeyCVPYPBGDWRFLJU-UHFFFAOYSA-N
XLogP2.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclohexyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 1429129
N-cyclopentyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide
CID 17371349
N-cyclopentyl-4-(2-ethoxyphenyl)piperazine-1-carbothioamide
CID 19655264
4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide
CID 8626878
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
4-benzyl-N-cyclopropylpiperazine-1-carbothioamide
CID 7942209
1-cyclopentyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 119120815
N-benzhydryl-4-phenylpiperazine-1-carbothioamide
CID 3837595
cyclopentyl-(4-phenylpiperazin-1-yl)methanimine
CID 63178479
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-phenylpiperazine-1-carbothioamide?
The IUPAC name of N-cyclopentyl-4-phenylpiperazine-1-carbothioamide (CID 892113) is N-cyclopentyl-4-phenylpiperazine-1-carbothioamide.
What is the SMILES notation for N-cyclopentyl-4-phenylpiperazine-1-carbothioamide?
The canonical SMILES for N-cyclopentyl-4-phenylpiperazine-1-carbothioamide is S=C(NC1CCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-cyclopentyl-4-phenylpiperazine-1-carbothioamide?
The InChIKey is CVPYPBGDWRFLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c20-16(17-14-6-4-5-7-14)19-12-10-18(11-13-19)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,17,20).
What are the key properties of N-cyclopentyl-4-phenylpiperazine-1-carbothioamide?
N-cyclopentyl-4-phenylpiperazine-1-carbothioamide has a molecular weight of 289.45 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-phenylpiperazine-1-carbothioamide is sourced from PubChem (CID 892113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).