N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide

C17H25ClN2OS — CID 119691371

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCSc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C17H25ClN2OS/c1-13(14-6-8-19-9-7-14)12-17(21)20-10-11-22-16-4-2-15(18)3-5-16/h2-5,13-14,19H,6-12H2,1H3,(H,20,21)
InChIKeyCFXROPCGUDZXGG-UHFFFAOYSA-N
MW340.92 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide

N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119691371) has the molecular formula C17H25ClN2OS and a molecular weight of 340.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
PubChem CID119691371
Molecular FormulaC17H25ClN2OS
Molecular Weight340.92 g/mol
Exact Mass340.14
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCSc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C17H25ClN2OS/c1-13(14-6-8-19-9-7-14)12-17(21)20-10-11-22-16-4-2-15(18)3-5-16/h2-5,13-14,19H,6-12H2,1H3,(H,20,21)
InChIKeyCFXROPCGUDZXGG-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691370
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900787
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide (CID 119691371) is N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCSc1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is CFXROPCGUDZXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OS/c1-13(14-6-8-19-9-7-14)12-17(21)20-10-11-22-16-4-2-15(18)3-5-16/h2-5,13-14,19H,6-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 340.92 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119691371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).