N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide

C24H31N3OS — CID 10364177

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide
SMILESCCN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NC(=O)c1ccccc1
InChIInChI=1S/C24H31N3OS/c1-2-27(24(29)25-23(28)22-11-7-4-8-12-22)18-15-20-13-16-26(17-14-20)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3,(H,25,28,29)
InChIKeyZAELRSITUJZFDB-UHFFFAOYSA-N
MW409.60 g/mol
LogP4.33
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide

N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide (PubChem CID 10364177) has the molecular formula C24H31N3OS and a molecular weight of 409.60 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide
PubChem CID10364177
Molecular FormulaC24H31N3OS
Molecular Weight409.60 g/mol
Exact Mass409.22
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide
SMILESCCN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NC(=O)c1ccccc1
InChIInChI=1S/C24H31N3OS/c1-2-27(24(29)25-23(28)22-11-7-4-8-12-22)18-15-20-13-16-26(17-14-20)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3,(H,25,28,29)
InChIKeyZAELRSITUJZFDB-UHFFFAOYSA-N
XLogP4.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
CID 14553502
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
4-(1-benzylpiperidin-4-yl)-N,N-diethylbutan-1-amine;ethane
CID 142036971
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
CID 119897569
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 56983782
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578
N-[2-[[1-(1-benzylpiperidin-4-yl)naphthalen-2-yl]amino]ethyl]-N-ethylbenzamide
CID 142643486
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide (CID 10364177) is N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide is CCN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide?
The InChIKey is ZAELRSITUJZFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3OS/c1-2-27(24(29)25-23(28)22-11-7-4-8-12-22)18-15-20-13-16-26(17-14-20)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3,(H,25,28,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide has a molecular weight of 409.60 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide is sourced from PubChem (CID 10364177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).