N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide

C18H24N4O2 — CID 120888288

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2cnn(-c3ccccc3)c2)CCNCC1
InChIInChI=1S/C18H24N4O2/c1-24-14-18(7-9-19-10-8-18)13-20-17(23)15-11-21-22(12-15)16-5-3-2-4-6-16/h2-6,11-12,19H,7-10,13-14H2,1H3,(H,20,23)
InChIKeyVTKRJYGDPVGAHJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.62
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 120888288) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID120888288
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2cnn(-c3ccccc3)c2)CCNCC1
InChIInChI=1S/C18H24N4O2/c1-24-14-18(7-9-19-10-8-18)13-20-17(23)15-11-21-22(12-15)16-5-3-2-4-6-16/h2-6,11-12,19H,7-10,13-14H2,1H3,(H,20,23)
InChIKeyVTKRJYGDPVGAHJ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120892083
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 120890524
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
1-[(2-chlorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120888529
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-sulfonamide;hydrochloride
CID 120896584
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120892061
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 120890672

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide (CID 120888288) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide is COCC1(CNC(=O)c2cnn(-c3ccccc3)c2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is VTKRJYGDPVGAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-14-18(7-9-19-10-8-18)13-20-17(23)15-11-21-22(12-15)16-5-3-2-4-6-16/h2-6,11-12,19H,7-10,13-14H2,1H3,(H,20,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 120888288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).