N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide

C18H28N2OS — CID 71850304

IUPACN-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(C(C)CCSc2ccccc2)C1
InChIInChI=1S/C18H28N2OS/c1-3-18(21)19-16-8-7-12-20(14-16)15(2)11-13-22-17-9-5-4-6-10-17/h4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3,(H,19,21)
InChIKeyDLGNDWTWKHHPGJ-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.55
Rot. Bonds7

About N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide

N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide (PubChem CID 71850304) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide
PubChem CID71850304
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC NameN-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(C(C)CCSc2ccccc2)C1
InChIInChI=1S/C18H28N2OS/c1-3-18(21)19-16-8-7-12-20(14-16)15(2)11-13-22-17-9-5-4-6-10-17/h4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3,(H,19,21)
InChIKeyDLGNDWTWKHHPGJ-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide
CID 96542414
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 97237730
methyl (2R)-2-(4-fluorophenyl)-2-[(3R)-3-(propanoylamino)piperidin-1-yl]acetate
CID 100838826
N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
CID 60661799
(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide
CID 97236505
2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide
CID 75461568
N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide
CID 56510280
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911087

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide?
The IUPAC name of N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide (CID 71850304) is N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide is CCC(=O)NC1CCCN(C(C)CCSc2ccccc2)C1.
What is the InChIKey of N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide?
The InChIKey is DLGNDWTWKHHPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-3-18(21)19-16-8-7-12-20(14-16)15(2)11-13-22-17-9-5-4-6-10-17/h4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide?
N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide has a molecular weight of 320.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 71850304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).