4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide

C12H20N4O — CID 114428575

IUPAC4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O/c1-2-9-3-4-13-11(5-9)12(17)14-6-10-7-15-16-8-10/h7-9,11,13H,2-6H2,1H3,(H,14,17)(H,15,16)
InChIKeyGEFFKTCUJNAMCF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds4

About 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide

4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 114428575) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
PubChem CID114428575
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O/c1-2-9-3-4-13-11(5-9)12(17)14-6-10-7-15-16-8-10/h7-9,11,13H,2-6H2,1H3,(H,14,17)(H,15,16)
InChIKeyGEFFKTCUJNAMCF-UHFFFAOYSA-N
XLogP0.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 114429335
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidine-2-carboxamide
CID 114428953
4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 114428577
2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 60736218
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 114428592
N-(cyclohexylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428046
N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 61000741
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 114429306
4-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 114428064
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61004650

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide (CID 114428575) is 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide is CCC1CCNC(C(=O)NCc2cn[nH]c2)C1.
What is the InChIKey of 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is GEFFKTCUJNAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-9-3-4-13-11(5-9)12(17)14-6-10-7-15-16-8-10/h7-9,11,13H,2-6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114428575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).