5-(1-benzylpiperidin-4-yl)pentanethioamide

C17H26N2S — CID 139624929

IUPAC5-(1-benzylpiperidin-4-yl)pentanethioamide
SMILESNC(=S)CCCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2S/c18-17(20)9-5-4-6-15-10-12-19(13-11-15)14-16-7-2-1-3-8-16/h1-3,7-8,15H,4-6,9-14H2,(H2,18,20)
InChIKeyPMROWRGGQSXSMH-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.75
Rot. Bonds7

About 5-(1-benzylpiperidin-4-yl)pentanethioamide

5-(1-benzylpiperidin-4-yl)pentanethioamide (PubChem CID 139624929) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-4-yl)pentanethioamide.

Molecular Properties

Compound Name5-(1-benzylpiperidin-4-yl)pentanethioamide
PubChem CID139624929
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name5-(1-benzylpiperidin-4-yl)pentanethioamide
SMILESNC(=S)CCCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2S/c18-17(20)9-5-4-6-15-10-12-19(13-11-15)14-16-7-2-1-3-8-16/h1-3,7-8,15H,4-6,9-14H2,(H2,18,20)
InChIKeyPMROWRGGQSXSMH-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide
CID 86750726
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
4-(1-benzylpiperidin-4-yl)-N,N-diethylbutan-1-amine;ethane
CID 142036971
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide
CID 174927371
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide
CID 19970196
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-fluorophenyl)thiourea
CID 10044752

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-4-yl)pentanethioamide?
The IUPAC name of 5-(1-benzylpiperidin-4-yl)pentanethioamide (CID 139624929) is 5-(1-benzylpiperidin-4-yl)pentanethioamide.
What is the SMILES notation for 5-(1-benzylpiperidin-4-yl)pentanethioamide?
The canonical SMILES for 5-(1-benzylpiperidin-4-yl)pentanethioamide is NC(=S)CCCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(1-benzylpiperidin-4-yl)pentanethioamide?
The InChIKey is PMROWRGGQSXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c18-17(20)9-5-4-6-15-10-12-19(13-11-15)14-16-7-2-1-3-8-16/h1-3,7-8,15H,4-6,9-14H2,(H2,18,20).
What are the key properties of 5-(1-benzylpiperidin-4-yl)pentanethioamide?
5-(1-benzylpiperidin-4-yl)pentanethioamide has a molecular weight of 290.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-4-yl)pentanethioamide is sourced from PubChem (CID 139624929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).