N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide

C19H30N2OS — CID 86990920

IUPACN-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide
SMILESCC1CCN(CCCCNC(=O)C(C)Sc2ccccc2)CC1
InChIInChI=1S/C19H30N2OS/c1-16-10-14-21(15-11-16)13-7-6-12-20-19(22)17(2)23-18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H,20,22)
InChIKeyGTGDWOBVRGIOJZ-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.80
Rot. Bonds8

About N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide

N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide (PubChem CID 86990920) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide
PubChem CID86990920
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC NameN-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide
SMILESCC1CCN(CCCCNC(=O)C(C)Sc2ccccc2)CC1
InChIInChI=1S/C19H30N2OS/c1-16-10-14-21(15-11-16)13-7-6-12-20-19(22)17(2)23-18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H,20,22)
InChIKeyGTGDWOBVRGIOJZ-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 29132971
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
2-methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-phenylethyl)guanidine
CID 111135431
(2R)-2-phenylsulfanyl-N-[3-[[(2R)-2-phenylsulfanylpropanoyl]sulfamoyl]propyl]propanamide
CID 95354875
2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide
CID 132760895
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241452
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide
CID 94101620
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119952808
N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46523666

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide (CID 86990920) is N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide is CC1CCN(CCCCNC(=O)C(C)Sc2ccccc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide?
The InChIKey is GTGDWOBVRGIOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-16-10-14-21(15-11-16)13-7-6-12-20-19(22)17(2)23-18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide?
N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide has a molecular weight of 334.53 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 86990920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).