N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C26H32N4O — CID 92637488

IUPACN-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2)c(CC2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C26H32N4O/c1-29-20-24(26(31)27-19-23-10-6-3-7-11-23)25(28-29)18-22-13-16-30(17-14-22)15-12-21-8-4-2-5-9-21/h2-11,20,22H,12-19H2,1H3,(H,27,31)
InChIKeyFUBXXNVZIJURNG-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.85
Rot. Bonds8

About N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 92637488) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID92637488
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC NameN-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2)c(CC2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C26H32N4O/c1-29-20-24(26(31)27-19-23-10-6-3-7-11-23)25(28-29)18-22-13-16-30(17-14-22)15-12-21-8-4-2-5-9-21/h2-11,20,22H,12-19H2,1H3,(H,27,31)
InChIKeyFUBXXNVZIJURNG-UHFFFAOYSA-N
XLogP3.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637454
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637592
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636739
3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 92637469
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92638073
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637458
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637598
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636604
N-[(3,5-dimethylphenyl)methyl]-2-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 118378041

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 92637488) is N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(CCc3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is FUBXXNVZIJURNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-29-20-24(26(31)27-19-23-10-6-3-7-11-23)25(28-29)18-22-13-16-30(17-14-22)15-12-21-8-4-2-5-9-21/h2-11,20,22H,12-19H2,1H3,(H,27,31).
What are the key properties of N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 92637488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).