3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide

C24H39N3O3 — CID 26408301

IUPAC3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C24H39N3O3/c1-26(2)17-14-25-24(28)19-10-11-22(29-3)23(18-19)30-21-12-15-27(16-13-21)20-8-6-4-5-7-9-20/h10-11,18,20-21H,4-9,12-17H2,1-3H3,(H,25,28)
InChIKeyWIXYBTZCGNTTHO-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.55
Rot. Bonds8

About 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide

3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide (PubChem CID 26408301) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
PubChem CID26408301
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C24H39N3O3/c1-26(2)17-14-25-24(28)19-10-11-22(29-3)23(18-19)30-21-12-15-27(16-13-21)20-8-6-4-5-7-9-20/h10-11,18,20-21H,4-9,12-17H2,1-3H3,(H,25,28)
InChIKeyWIXYBTZCGNTTHO-UHFFFAOYSA-N
XLogP3.55
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 25491681
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
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(3,3-dimethylcyclohexyl)piperidin-4-yl]oxybenzamide
CID 45193746
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(thiolan-3-yl)piperidin-4-yl]oxybenzamide
CID 45213969
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 72856524
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-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(3-methylbut-2-enoyl)piperidin-4-yl]oxybenzamide
CID 42565360
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429

Frequently Asked Questions

What is the IUPAC name of 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide (CID 26408301) is 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide?
The InChIKey is WIXYBTZCGNTTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-26(2)17-14-25-24(28)19-10-11-22(29-3)23(18-19)30-21-12-15-27(16-13-21)20-8-6-4-5-7-9-20/h10-11,18,20-21H,4-9,12-17H2,1-3H3,(H,25,28).
What are the key properties of 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide?
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide has a molecular weight of 417.59 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 26408301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).