4-benzyl-N-cyclopropylpiperazine-1-carbothioamide

C15H21N3S — CID 7942209

IUPAC4-benzyl-N-cyclopropylpiperazine-1-carbothioamide
SMILESS=C(NC1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3S/c19-15(16-14-6-7-14)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,16,19)
InChIKeyQWPTYDHQHNWCCZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.84
Rot. Bonds3

About 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide

4-benzyl-N-cyclopropylpiperazine-1-carbothioamide (PubChem CID 7942209) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide.

Molecular Properties

Compound Name4-benzyl-N-cyclopropylpiperazine-1-carbothioamide
PubChem CID7942209
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-benzyl-N-cyclopropylpiperazine-1-carbothioamide
SMILESS=C(NC1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3S/c19-15(16-14-6-7-14)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,16,19)
InChIKeyQWPTYDHQHNWCCZ-UHFFFAOYSA-N
XLogP1.84
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.84
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

4-[(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carbothioamide
CID 17265862
4-benzyl-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carbothioamide
CID 11936690
N-cyclopropyl-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide
CID 9097509
N-(4-benzylpiperazine-1-carbothioyl)cyclohexanecarboxamide
CID 2408859
4-benzyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
CID 3449075
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
(2S)-4-benzyl-N-cyclopropyl-2-methyl-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 93145823
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578
4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 5260669
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide?
The IUPAC name of 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide (CID 7942209) is 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide.
What is the SMILES notation for 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide?
The canonical SMILES for 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide is S=C(NC1CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide?
The InChIKey is QWPTYDHQHNWCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c19-15(16-14-6-7-14)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,16,19).
What are the key properties of 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide?
4-benzyl-N-cyclopropylpiperazine-1-carbothioamide has a molecular weight of 275.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclopropylpiperazine-1-carbothioamide is sourced from PubChem (CID 7942209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).