N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C18H24N4O2 — CID 120923550

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C18H24N4O2/c1-24-14-16-5-2-4-15(12-16)13-20-17(23)18(6-9-19-10-7-18)22-11-3-8-21-22/h2-5,8,11-12,19H,6-7,9-10,13-14H2,1H3,(H,20,23)
InChIKeyJLFKRAXHACHQCB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.42
Rot. Bonds6

About N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120923550) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120923550
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C18H24N4O2/c1-24-14-16-5-2-4-15(12-16)13-20-17(23)18(6-9-19-10-7-18)22-11-3-8-21-22/h2-5,8,11-12,19H,6-7,9-10,13-14H2,1H3,(H,20,23)
InChIKeyJLFKRAXHACHQCB-UHFFFAOYSA-N
XLogP1.42
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922992
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922663
N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-4-carboxamide
CID 63122588
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923153
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931808
N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925468
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120923550) is N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is COCc1cccc(CNC(=O)C2(n3cccn3)CCNCC2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is JLFKRAXHACHQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-14-16-5-2-4-15(12-16)13-20-17(23)18(6-9-19-10-7-18)22-11-3-8-21-22/h2-5,8,11-12,19H,6-7,9-10,13-14H2,1H3,(H,20,23).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120923550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).