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

C17H26Cl2N2OS — CID 119691370

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCSc1ccc(Cl)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H25ClN2OS.ClH/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);1H
InChIKeyZTWCXADFJQJKAV-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.00
Rot. Bonds7

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

N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119691370) has the molecular formula C17H26Cl2N2OS and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119691370
Molecular FormulaC17H26Cl2N2OS
Molecular Weight377.38 g/mol
Exact Mass376.11
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCSc1ccc(Cl)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H25ClN2OS.ClH/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);1H
InChIKeyZTWCXADFJQJKAV-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.00
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
CID 119691371
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900787
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119691370) is N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCCSc1ccc(Cl)cc1)C1CCNCC1.Cl.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is ZTWCXADFJQJKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OS.ClH/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);1H.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 377.38 g/mol, XLogP of 4.00, 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;hydrochloride is sourced from PubChem (CID 119691370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).