4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide

C22H25N5O2 — CID 53181074

IUPAC4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(c3cc(-c4ccccn4)[nH]n3)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-18-7-5-17(6-8-18)22(28)24-15-16-9-12-27(13-10-16)21-14-20(25-26-21)19-4-2-3-11-23-19/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyGDXJYNQEVSPKRW-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.13
Rot. Bonds6

About 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide

4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 53181074) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
PubChem CID53181074
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(c3cc(-c4ccccn4)[nH]n3)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-18-7-5-17(6-8-18)22(28)24-15-16-9-12-27(13-10-16)21-14-20(25-26-21)19-4-2-3-11-23-19/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyGDXJYNQEVSPKRW-UHFFFAOYSA-N
XLogP3.13
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide (CID 53181074) is 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide is COc1ccc(C(=O)NCC2CCN(c3cc(-c4ccccn4)[nH]n3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is GDXJYNQEVSPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-18-7-5-17(6-8-18)22(28)24-15-16-9-12-27(13-10-16)21-14-20(25-26-21)19-4-2-3-11-23-19/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 53181074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).