2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide

C22H32N4O4 — CID 25457226

IUPAC2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCCn1cc(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)cn1
InChIInChI=1S/C22H32N4O4/c1-4-26-16-17(14-24-26)15-25-10-7-18(8-11-25)30-21-13-19(29-3)5-6-20(21)22(27)23-9-12-28-2/h5-6,13-14,16,18H,4,7-12,15H2,1-3H3,(H,23,27)
InChIKeyLLAZTYDODUGGNY-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.33
Rot. Bonds10

About 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 25457226) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID25457226
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCCn1cc(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)cn1
InChIInChI=1S/C22H32N4O4/c1-4-26-16-17(14-24-26)15-25-10-7-18(8-11-25)30-21-13-19(29-3)5-6-20(21)22(27)23-9-12-28-2/h5-6,13-14,16,18H,4,7-12,15H2,1-3H3,(H,23,27)
InChIKeyLLAZTYDODUGGNY-UHFFFAOYSA-N
XLogP2.33
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide
CID 26404278
2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25384356
4-methoxy-N-(2-methoxyethyl)-2-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25458681
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 26406468
4-methoxy-N-(2-methoxyethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72866282
2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42298282
4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide
CID 25458744
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 26316423
2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42403030
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-5-methylhex-5-en-2-yl]piperidin-4-yl]oxybenzamide
CID 25369057
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42392064

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide (CID 25457226) is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide is CCn1cc(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)cn1.
What is the InChIKey of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is LLAZTYDODUGGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-4-26-16-17(14-24-26)15-25-10-7-18(8-11-25)30-21-13-19(29-3)5-6-20(21)22(27)23-9-12-28-2/h5-6,13-14,16,18H,4,7-12,15H2,1-3H3,(H,23,27).
What are the key properties of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 416.52 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 25457226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).