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

C15H25ClN2OS — CID 119304582

IUPACN-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(CN(C(=O)C2CCNCC2)C(C)C)s1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11(2)17(10-14-5-4-12(3)19-14)15(18)13-6-8-16-9-7-13;/h4-5,11,13,16H,6-10H2,1-3H3;1H
InChIKeyXGZNAUKEOVEUQH-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.21
Rot. Bonds4

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

N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119304582) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID119304582
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(CN(C(=O)C2CCNCC2)C(C)C)s1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11(2)17(10-14-5-4-12(3)19-14)15(18)13-6-8-16-9-7-13;/h4-5,11,13,16H,6-10H2,1-3H3;1H
InChIKeyXGZNAUKEOVEUQH-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119306421
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 119754149
N-[(4-nitrophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119302702
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937832
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 120927978
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707515
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 47002845
3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide
CID 60583905
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
4-[(5-methylthiophen-2-yl)methyl]piperidine
CID 83685814
N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 142423345

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride (CID 119304582) is N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride is Cc1ccc(CN(C(=O)C2CCNCC2)C(C)C)s1.Cl.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XGZNAUKEOVEUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-11(2)17(10-14-5-4-12(3)19-14)15(18)13-6-8-16-9-7-13;/h4-5,11,13,16H,6-10H2,1-3H3;1H.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119304582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).