2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride

C23H37Cl2N3O3 — CID 154899746

IUPAC2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride
SMILESCOc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NC[C@@H]2CCCN2)c1.Cl.Cl
InChIInChI=1S/C23H35N3O3.2ClH/c1-28-20-8-9-22(21(15-20)23(27)25-16-17-5-4-12-24-17)29-19-10-13-26(14-11-19)18-6-2-3-7-18;;/h8-9,15,17-19,24H,2-7,10-14,16H2,1H3,(H,25,27);2*1H/t17-;;/m0../s1
InChIKeyYZJSKMMUSQFANQ-RMRYJAPISA-N
MW474.47 g/mol
LogP3.81
Rot. Bonds7

About 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride

2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride (PubChem CID 154899746) has the molecular formula C23H37Cl2N3O3 and a molecular weight of 474.47 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride
PubChem CID154899746
Molecular FormulaC23H37Cl2N3O3
Molecular Weight474.47 g/mol
Exact Mass473.22
IUPAC Name2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride
SMILESCOc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NC[C@@H]2CCCN2)c1.Cl.Cl
InChIInChI=1S/C23H35N3O3.2ClH/c1-28-20-8-9-22(21(15-20)23(27)25-16-17-5-4-12-24-17)29-19-10-13-26(14-11-19)18-6-2-3-7-18;;/h8-9,15,17-19,24H,2-7,10-14,16H2,1H3,(H,25,27);2*1H/t17-;;/m0../s1
InChIKeyYZJSKMMUSQFANQ-RMRYJAPISA-N
XLogP3.81
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 26334227
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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride?
The IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride (CID 154899746) is 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride?
The canonical SMILES for 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride is COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NC[C@@H]2CCCN2)c1.Cl.Cl.
What is the InChIKey of 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride?
The InChIKey is YZJSKMMUSQFANQ-RMRYJAPISA-N. The full InChI is InChI=1S/C23H35N3O3.2ClH/c1-28-20-8-9-22(21(15-20)23(27)25-16-17-5-4-12-24-17)29-19-10-13-26(14-11-19)18-6-2-3-7-18;;/h8-9,15,17-19,24H,2-7,10-14,16H2,1H3,(H,25,27);2*1H/t17-;;/m0../s1.
What are the key properties of 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride?
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride has a molecular weight of 474.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 154899746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).