N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

C18H29ClN2OS — CID 119769607

IUPACN-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCSCCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-14(16-7-10-19-11-8-16)13-18(21)20-17-5-3-15(4-6-17)9-12-22-2;/h3-6,14,16,19H,7-13H2,1-2H3,(H,20,21);1H
InChIKeyHNGZXMITAIAXNI-UHFFFAOYSA-N
MW356.96 g/mol
LogP3.98
Rot. Bonds7

About N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119769607) has the molecular formula C18H29ClN2OS and a molecular weight of 356.96 g/mol. Its IUPAC name is N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119769607
Molecular FormulaC18H29ClN2OS
Molecular Weight356.96 g/mol
Exact Mass356.17
IUPAC NameN-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCSCCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-14(16-7-10-19-11-8-16)13-18(21)20-17-5-3-15(4-6-17)9-12-22-2;/h3-6,14,16,19H,7-13H2,1-2H3,(H,20,21);1H
InChIKeyHNGZXMITAIAXNI-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
CID 119775698
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
CID 119862150
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119749383
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119769607) is N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is CSCCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is HNGZXMITAIAXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS.ClH/c1-14(16-7-10-19-11-8-16)13-18(21)20-17-5-3-15(4-6-17)9-12-22-2;/h3-6,14,16,19H,7-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 356.96 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119769607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).