2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C26H27N5O2 — CID 29258956

IUPAC2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccc3ncccc23)CC1
InChIInChI=1S/C26H27N5O2/c1-33-24-10-3-2-7-22(24)26(32)29-25-11-15-28-31(25)20-12-16-30(17-13-20)18-19-6-4-9-23-21(19)8-5-14-27-23/h2-11,14-15,20H,12-13,16-18H2,1H3,(H,29,32)
InChIKeyMAPUEDGGGKNWRI-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.53
Rot. Bonds6

About 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 29258956) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID29258956
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccc3ncccc23)CC1
InChIInChI=1S/C26H27N5O2/c1-33-24-10-3-2-7-22(24)26(32)29-25-11-15-28-31(25)20-12-16-30(17-13-20)18-19-6-4-9-23-21(19)8-5-14-27-23/h2-11,14-15,20H,12-13,16-18H2,1H3,(H,29,32)
InChIKeyMAPUEDGGGKNWRI-UHFFFAOYSA-N
XLogP4.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24793895
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 25487941
2-methoxy-N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25372817
2-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24817787
N-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 56745952
N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 25452856
N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24790063
N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 95207495
N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide;hydrochloride
CID 154885901
3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25366302
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 29258956) is 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccc3ncccc23)CC1.
What is the InChIKey of 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is MAPUEDGGGKNWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-33-24-10-3-2-7-22(24)26(32)29-25-11-15-28-31(25)20-12-16-30(17-13-20)18-19-6-4-9-23-21(19)8-5-14-27-23/h2-11,14-15,20H,12-13,16-18H2,1H3,(H,29,32).
What are the key properties of 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 441.54 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 29258956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).