4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

C25H36N4O3 — CID 25375156

IUPAC4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)N(C)CCc2cnn(C)c2)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C25H36N4O3/c1-27(13-10-19-17-26-28(2)18-19)25(30)20-8-9-23(24(16-20)31-3)32-22-11-14-29(15-12-22)21-6-4-5-7-21/h8-9,16-18,21-22H,4-7,10-15H2,1-3H3
InChIKeyCFTZVUSEBMWWFJ-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.53
Rot. Bonds8

About 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 25375156) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID25375156
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)N(C)CCc2cnn(C)c2)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C25H36N4O3/c1-27(13-10-19-17-26-28(2)18-19)25(30)20-8-9-23(24(16-20)31-3)32-22-11-14-29(15-12-22)21-6-4-5-7-21/h8-9,16-18,21-22H,4-7,10-15H2,1-3H3
InChIKeyCFTZVUSEBMWWFJ-UHFFFAOYSA-N
XLogP3.53
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 25491681
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 77081979
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 26408301
4-cyclopentyloxy-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 55833317
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 72856524
[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42462257
3-(1-acetylpiperidin-4-yl)oxy-N-(3-cyclopentylpropyl)-4-methoxy-N-methylbenzamide
CID 24818955
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 154900150
N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482785
4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide
CID 25461025

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 25375156) is 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is COc1cc(C(=O)N(C)CCc2cnn(C)c2)ccc1OC1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is CFTZVUSEBMWWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-27(13-10-19-17-26-28(2)18-19)25(30)20-8-9-23(24(16-20)31-3)32-22-11-14-29(15-12-22)21-6-4-5-7-21/h8-9,16-18,21-22H,4-7,10-15H2,1-3H3.
What are the key properties of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 440.59 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 25375156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).