4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride

C22H35Cl2N3O3 — CID 154900150

IUPAC4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCOc1cc(C(=O)NC2CCNC2)ccc1OC1CCN(C2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C22H33N3O3.2ClH/c1-27-21-14-16(22(26)24-17-8-11-23-15-17)6-7-20(21)28-19-9-12-25(13-10-19)18-4-2-3-5-18;;/h6-7,14,17-19,23H,2-5,8-13,15H2,1H3,(H,24,26);2*1H
InChIKeyRYDQJGMJJDZOEP-UHFFFAOYSA-N
MW460.45 g/mol
LogP3.42
Rot. Bonds6

About 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride

4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride (PubChem CID 154900150) has the molecular formula C22H35Cl2N3O3 and a molecular weight of 460.45 g/mol. Its IUPAC name is 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound Name4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
PubChem CID154900150
Molecular FormulaC22H35Cl2N3O3
Molecular Weight460.45 g/mol
Exact Mass459.21
IUPAC Name4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCOc1cc(C(=O)NC2CCNC2)ccc1OC1CCN(C2CCCC2)CC1.Cl.Cl
InChIInChI=1S/C22H33N3O3.2ClH/c1-27-21-14-16(22(26)24-17-8-11-23-15-17)6-7-20(21)28-19-9-12-25(13-10-19)18-4-2-3-5-18;;/h6-7,14,17-19,23H,2-5,8-13,15H2,1H3,(H,24,26);2*1H
InChIKeyRYDQJGMJJDZOEP-UHFFFAOYSA-N
XLogP3.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one
CID 25479313
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 72856524
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-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide
CID 25461025
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride (CID 154900150) is 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride is COc1cc(C(=O)NC2CCNC2)ccc1OC1CCN(C2CCCC2)CC1.Cl.Cl.
What is the InChIKey of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The InChIKey is RYDQJGMJJDZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.2ClH/c1-27-21-14-16(22(26)24-17-8-11-23-15-17)6-7-20(21)28-19-9-12-25(13-10-19)18-4-2-3-5-18;;/h6-7,14,17-19,23H,2-5,8-13,15H2,1H3,(H,24,26);2*1H.
What are the key properties of 4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride has a molecular weight of 460.45 g/mol, XLogP of 3.42, 6 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-pyrrolidin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 154900150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).