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

C23H27N5O2 — CID 92566167

IUPAC2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(Cc2cc(-c3cccnc3)nn2C)CC1
InChIInChI=1S/C23H27N5O2/c1-27-19(14-21(26-27)17-6-5-11-24-15-17)16-28-12-9-18(10-13-28)25-23(29)20-7-3-4-8-22(20)30-2/h3-8,11,14-15,18H,9-10,12-13,16H2,1-2H3,(H,25,29)
InChIKeyWOQSZBCYQFBBBG-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.89
Rot. Bonds6

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

2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 92566167) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide
PubChem CID92566167
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(Cc2cc(-c3cccnc3)nn2C)CC1
InChIInChI=1S/C23H27N5O2/c1-27-19(14-21(26-27)17-6-5-11-24-15-17)16-28-12-9-18(10-13-28)25-23(29)20-7-3-4-8-22(20)30-2/h3-8,11,14-15,18H,9-10,12-13,16H2,1-2H3,(H,25,29)
InChIKeyWOQSZBCYQFBBBG-UHFFFAOYSA-N
XLogP2.89
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958151
N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-methoxythiophene-2-carboxamide
CID 92566117
N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 92567188
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 134802964
2-methoxy-N-[4-(pyridin-3-ylcarbamoyl)cyclohexyl]benzamide
CID 154762622
N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 92597215
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134800740
5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide
CID 92588191
2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55979600
(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958152
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55952631

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide (CID 92566167) is 2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide is COc1ccccc1C(=O)NC1CCN(Cc2cc(-c3cccnc3)nn2C)CC1.
What is the InChIKey of 2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is WOQSZBCYQFBBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-27-19(14-21(26-27)17-6-5-11-24-15-17)16-28-12-9-18(10-13-28)25-23(29)20-7-3-4-8-22(20)30-2/h3-8,11,14-15,18H,9-10,12-13,16H2,1-2H3,(H,25,29).
What are the key properties of 2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide?
2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 92566167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).