3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

C19H26N4O2 — CID 86818018

IUPAC3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESCOC1CN(C(=O)NC(C)c2ccccc2-n2cccn2)CCC1C
InChIInChI=1S/C19H26N4O2/c1-14-9-12-22(13-18(14)25-3)19(24)21-15(2)16-7-4-5-8-17(16)23-11-6-10-20-23/h4-8,10-11,14-15,18H,9,12-13H2,1-3H3,(H,21,24)
InChIKeyJRXRVEOOWUMUAJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds4

About 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 86818018) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID86818018
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESCOC1CN(C(=O)NC(C)c2ccccc2-n2cccn2)CCC1C
InChIInChI=1S/C19H26N4O2/c1-14-9-12-22(13-18(14)25-3)19(24)21-15(2)16-7-4-5-8-17(16)23-11-6-10-20-23/h4-8,10-11,14-15,18H,9,12-13H2,1-3H3,(H,21,24)
InChIKeyJRXRVEOOWUMUAJ-UHFFFAOYSA-N
XLogP3.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146
4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 124590755
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 102962668
1-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 129402976
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119781688
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
CID 95132547
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide
CID 131912080
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 119034624

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (CID 86818018) is 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is COC1CN(C(=O)NC(C)c2ccccc2-n2cccn2)CCC1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is JRXRVEOOWUMUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-9-12-22(13-18(14)25-3)19(24)21-15(2)16-7-4-5-8-17(16)23-11-6-10-20-23/h4-8,10-11,14-15,18H,9,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 86818018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).