4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide

C22H30N4O3 — CID 72856524

IUPAC4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2ccn[nH]2)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H30N4O3/c1-28-21-14-16(22(27)23-15-17-8-11-24-25-17)6-7-20(21)29-19-9-12-26(13-10-19)18-4-2-3-5-18/h6-8,11,14,18-19H,2-5,9-10,12-13,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyQFOKCTHEEJPACN-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.13
Rot. Bonds7

About 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide

4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 72856524) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID72856524
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2ccn[nH]2)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H30N4O3/c1-28-21-14-16(22(27)23-15-17-8-11-24-25-17)6-7-20(21)29-19-9-12-26(13-10-19)18-4-2-3-5-18/h6-8,11,14,18-19H,2-5,9-10,12-13,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyQFOKCTHEEJPACN-UHFFFAOYSA-N
XLogP3.13
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 154900150
4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide
CID 25461025
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 26408301
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 25491681
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029
4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one
CID 25479313
3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
CID 75520735
3-chloro-4-(1-cycloheptylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26407252
3-chloro-4-(1-cyclohexylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26406628
[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42462257
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 25375156

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 72856524) is 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide is COc1cc(C(=O)NCc2ccn[nH]2)ccc1OC1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is QFOKCTHEEJPACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-28-21-14-16(22(27)23-15-17-8-11-24-25-17)6-7-20(21)29-19-9-12-26(13-10-19)18-4-2-3-5-18/h6-8,11,14,18-19H,2-5,9-10,12-13,15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide?
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 398.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 72856524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).