N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C16H22N4OS — CID 120931021

IUPACN-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(n3cccn3)CCNCC2)s1
InChIInChI=1S/C16H22N4OS/c1-13-4-5-14(22-13)12-19(2)15(21)16(6-9-17-10-7-16)20-11-3-8-18-20/h3-5,8,11,17H,6-7,9-10,12H2,1-2H3
InChIKeyWJRBGJSNEGBOKV-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120931021) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120931021
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(n3cccn3)CCNCC2)s1
InChIInChI=1S/C16H22N4OS/c1-13-4-5-14(22-13)12-19(2)15(21)16(6-9-17-10-7-16)20-11-3-8-18-20/h3-5,8,11,17H,6-7,9-10,12H2,1-2H3
InChIKeyWJRBGJSNEGBOKV-UHFFFAOYSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918668
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920344
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918606
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926302
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929772
N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937037
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930880
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925460

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120931021) is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is Cc1ccc(CN(C)C(=O)C2(n3cccn3)CCNCC2)s1.
What is the InChIKey of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is WJRBGJSNEGBOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-13-4-5-14(22-13)12-19(2)15(21)16(6-9-17-10-7-16)20-11-3-8-18-20/h3-5,8,11,17H,6-7,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120931021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).