N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C17H24N4OS — CID 136521486

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CCCCC2c2cn[nH]c2)c(C)s1
InChIInChI=1S/C17H24N4OS/c1-11-8-15(13(3)23-11)12(2)20-17(22)21-7-5-4-6-16(21)14-9-18-19-10-14/h8-10,12,16H,4-7H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyVAZMTLURJLEGMO-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.09
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 136521486) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID136521486
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CCCCC2c2cn[nH]c2)c(C)s1
InChIInChI=1S/C17H24N4OS/c1-11-8-15(13(3)23-11)12(2)20-17(22)21-7-5-4-6-16(21)14-9-18-19-10-14/h8-10,12,16H,4-7H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyVAZMTLURJLEGMO-UHFFFAOYSA-N
XLogP4.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573372
(2R)-1-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922641
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86784707
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 102557167
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86789916
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 97252299
(2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99821034
(2S)-N-(3-methyl-4-nitrophenyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99698277
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 136521486) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is Cc1cc(C(C)NC(=O)N2CCCCC2c2cn[nH]c2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is VAZMTLURJLEGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11-8-15(13(3)23-11)12(2)20-17(22)21-7-5-4-6-16(21)14-9-18-19-10-14/h8-10,12,16H,4-7H2,1-3H3,(H,18,19)(H,20,22).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136521486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).