N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide

C23H26N4O — CID 9069207

IUPACN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H26N4O/c28-23(19-9-11-22(12-10-19)27-16-6-13-25-27)24-17-20-7-2-3-8-21(20)18-26-14-4-1-5-15-26/h2-3,6-13,16H,1,4-5,14-15,17-18H2,(H,24,28)
InChIKeyBCLWVJVHZXTYIY-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.79
Rot. Bonds6

About N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide (PubChem CID 9069207) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
PubChem CID9069207
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H26N4O/c28-23(19-9-11-22(12-10-19)27-16-6-13-25-27)24-17-20-7-2-3-8-21(20)18-26-14-4-1-5-15-26/h2-3,6-13,16H,1,4-5,14-15,17-18H2,(H,24,28)
InChIKeyBCLWVJVHZXTYIY-UHFFFAOYSA-N
XLogP3.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24516619
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9398987
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 18157119
4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8969533
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 42121264
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
4-pyrazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528681
4-(2-oxoimidazolidin-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 46524589

Frequently Asked Questions

What is the IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide (CID 9069207) is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide is O=C(NCc1ccccc1CN1CCCCC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is BCLWVJVHZXTYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(19-9-11-22(12-10-19)27-16-6-13-25-27)24-17-20-7-2-3-8-21(20)18-26-14-4-1-5-15-26/h2-3,6-13,16H,1,4-5,14-15,17-18H2,(H,24,28).
What are the key properties of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide?
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 374.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 9069207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).