2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide

C26H42N2O4 — CID 42384099

IUPAC2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N[C@@H](C)CCCC(C)(C)O)c1
InChIInChI=1S/C26H42N2O4/c1-19(8-7-15-26(2,3)30)27-25(29)23-18-22(31-4)11-12-24(23)32-21-13-16-28(17-14-21)20-9-5-6-10-20/h11-12,18-21,30H,5-10,13-17H2,1-4H3,(H,27,29)/t19-/m0/s1
InChIKeySLVJDNWTZJPTBI-IBGZPJMESA-N
MW446.63 g/mol
LogP4.54
Rot. Bonds10

About 2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide

2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide (PubChem CID 42384099) has the molecular formula C26H42N2O4 and a molecular weight of 446.63 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide
PubChem CID42384099
Molecular FormulaC26H42N2O4
Molecular Weight446.63 g/mol
Exact Mass446.31
IUPAC Name2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N[C@@H](C)CCCC(C)(C)O)c1
InChIInChI=1S/C26H42N2O4/c1-19(8-7-15-26(2,3)30)27-25(29)23-18-22(31-4)11-12-24(23)32-21-13-16-28(17-14-21)20-9-5-6-10-20/h11-12,18-21,30H,5-10,13-17H2,1-4H3,(H,27,29)/t19-/m0/s1
InChIKeySLVJDNWTZJPTBI-IBGZPJMESA-N
XLogP4.54
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 72934525
2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide
CID 56700795
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride
CID 154899746
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 25456293
[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
CID 26407325
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methoxybenzamide
CID 42241969
[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42566083
2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42403030
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxyethyl)benzamide
CID 72902039
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
CID 26334227

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide?
The IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide (CID 42384099) is 2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide.
What is the SMILES notation for 2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide?
The canonical SMILES for 2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide is COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N[C@@H](C)CCCC(C)(C)O)c1.
What is the InChIKey of 2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide?
The InChIKey is SLVJDNWTZJPTBI-IBGZPJMESA-N. The full InChI is InChI=1S/C26H42N2O4/c1-19(8-7-15-26(2,3)30)27-25(29)23-18-22(31-4)11-12-24(23)32-21-13-16-28(17-14-21)20-9-5-6-10-20/h11-12,18-21,30H,5-10,13-17H2,1-4H3,(H,27,29)/t19-/m0/s1.
What are the key properties of 2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide?
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide has a molecular weight of 446.63 g/mol, XLogP of 4.54, 10 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-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide is sourced from PubChem (CID 42384099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).