N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride

C16H27ClN2OS — CID 119727881

IUPACN-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)CC(C)C2CCNCC2)s1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-3-14-4-5-15(20-14)11-18-16(19)10-12(2)13-6-8-17-9-7-13;/h4-5,12-13,17H,3,6-11H2,1-2H3,(H,18,19);1H
InChIKeyVODKMVFMHMRCIP-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.37
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119727881) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119727881
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)CC(C)C2CCNCC2)s1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-3-14-4-5-15(20-14)11-18-16(19)10-12(2)13-6-8-17-9-7-13;/h4-5,12-13,17H,3,6-11H2,1-2H3,(H,18,19);1H
InChIKeyVODKMVFMHMRCIP-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethylthiophen-2-yl)methyl]-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

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119896018
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119699596
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119730060
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119734312
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119727881) is N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride is CCc1ccc(CNC(=O)CC(C)C2CCNCC2)s1.Cl.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is VODKMVFMHMRCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS.ClH/c1-3-14-4-5-15(20-14)11-18-16(19)10-12(2)13-6-8-17-9-7-13;/h4-5,12-13,17H,3,6-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 330.93 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119727881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).