N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide

C18H26N2OS — CID 70702528

IUPACN-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide
SMILESC=CCSc1ccccc1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C18H26N2OS/c1-2-15-22-17-10-5-4-9-16(17)18(21)19-11-8-14-20-12-6-3-7-13-20/h2,4-5,9-10H,1,3,6-8,11-15H2,(H,19,21)
InChIKeyVCNVTNGBBJENMY-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.57
Rot. Bonds8

About N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide

N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide (PubChem CID 70702528) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide
PubChem CID70702528
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC NameN-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide
SMILESC=CCSc1ccccc1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C18H26N2OS/c1-2-15-22-17-10-5-4-9-16(17)18(21)19-11-8-14-20-12-6-3-7-13-20/h2,4-5,9-10H,1,3,6-8,11-15H2,(H,19,21)
InChIKeyVCNVTNGBBJENMY-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39990130
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide
CID 112759734
N-(3-aminopropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide;hydrochloride
CID 119407692
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
N-(3-piperazin-1-ylpropyl)-2-propan-2-ylsulfanylbenzamide
CID 119393290
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55742331
N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide
CID 6472262
3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 62991871
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide (CID 70702528) is N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide is C=CCSc1ccccc1C(=O)NCCCN1CCCCC1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide?
The InChIKey is VCNVTNGBBJENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-2-15-22-17-10-5-4-9-16(17)18(21)19-11-8-14-20-12-6-3-7-13-20/h2,4-5,9-10H,1,3,6-8,11-15H2,(H,19,21).
What are the key properties of N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide?
N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide has a molecular weight of 318.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide is sourced from PubChem (CID 70702528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).