3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide

C12H20N4O — CID 103856925

IUPAC3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(C)c2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-16(8-9)12(17)15-10(2)11-6-13-14-7-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyNELQMLMPFLFVLU-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.91
Rot. Bonds2

About 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide

3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 103856925) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID103856925
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(C)c2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-16(8-9)12(17)15-10(2)11-6-13-14-7-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyNELQMLMPFLFVLU-UHFFFAOYSA-N
XLogP1.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106215532
4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106215711
4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 139018214
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
2-[1-[(3-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374459
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106215558
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583196
1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 106208912
3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856287

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide (CID 103856925) is 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide is CC1CCCN(C(=O)NC(C)c2cn[nH]c2)C1.
What is the InChIKey of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is NELQMLMPFLFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-4-3-5-16(8-9)12(17)15-10(2)11-6-13-14-7-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,13,14)(H,15,17).
What are the key properties of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide?
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 103856925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).