N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride

C21H29ClN2OS — CID 119306421

IUPACN-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2ccc(CN(C(=O)C3CCNCC3)C(C)C)s2)cc1.Cl
InChIInChI=1S/C21H28N2OS.ClH/c1-15(2)23(21(24)18-10-12-22-13-11-18)14-19-8-9-20(25-19)17-6-4-16(3)5-7-17;/h4-9,15,18,22H,10-14H2,1-3H3;1H
InChIKeyQQLYAHJNAUGTPS-UHFFFAOYSA-N
MW393.00 g/mol
LogP4.88
Rot. Bonds5

About N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride

N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119306421) has the molecular formula C21H29ClN2OS and a molecular weight of 393.00 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID119306421
Molecular FormulaC21H29ClN2OS
Molecular Weight393.00 g/mol
Exact Mass392.17
IUPAC NameN-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2ccc(CN(C(=O)C3CCNCC3)C(C)C)s2)cc1.Cl
InChIInChI=1S/C21H28N2OS.ClH/c1-15(2)23(21(24)18-10-12-22-13-11-18)14-19-8-9-20(25-19)17-6-4-16(3)5-7-17;/h4-9,15,18,22H,10-14H2,1-3H3;1H
InChIKeyQQLYAHJNAUGTPS-UHFFFAOYSA-N
XLogP4.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.00
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119304582
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 119754149
(2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride
CID 120789951
N-[(4-nitrophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119302702
N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 142423345
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 47002845
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-(4-sulfamoylphenyl)acetamide
CID 56553632
N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119289277
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride (CID 119306421) is N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride is Cc1ccc(-c2ccc(CN(C(=O)C3CCNCC3)C(C)C)s2)cc1.Cl.
What is the InChIKey of N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QQLYAHJNAUGTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS.ClH/c1-15(2)23(21(24)18-10-12-22-13-11-18)14-19-8-9-20(25-19)17-6-4-16(3)5-7-17;/h4-9,15,18,22H,10-14H2,1-3H3;1H.
What are the key properties of N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 393.00 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119306421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).