N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide

C24H37N3O3 — CID 25280901

IUPACN-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide
SMILESCN1CCC(N2CCC(Oc3cccc(C(=O)N(C)C4CCOCC4)c3)CC2)CC1
InChIInChI=1S/C24H37N3O3/c1-25-12-6-21(7-13-25)27-14-8-22(9-15-27)30-23-5-3-4-19(18-23)24(28)26(2)20-10-16-29-17-11-20/h3-5,18,20-22H,6-17H2,1-2H3
InChIKeyHDTKPLHCWDOAOU-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.88
Rot. Bonds5

About N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide

N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide (PubChem CID 25280901) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound NameN-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide
PubChem CID25280901
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC NameN-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide
SMILESCN1CCC(N2CCC(Oc3cccc(C(=O)N(C)C4CCOCC4)c3)CC2)CC1
InChIInChI=1S/C24H37N3O3/c1-25-12-6-21(7-13-25)27-14-8-22(9-15-27)30-23-5-3-4-19(18-23)24(28)26(2)20-10-16-29-17-11-20/h3-5,18,20-22H,6-17H2,1-2H3
InChIKeyHDTKPLHCWDOAOU-UHFFFAOYSA-N
XLogP2.88
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 42393600
N-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yloxybenzamide
CID 170788099
N-methyl-N-(1-methylpiperidin-4-yl)-3-pyridin-2-yloxybenzamide
CID 90596724
3-(oxan-4-yloxy)benzoic acid
CID 23149060
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(oxan-4-yl)benzamide
CID 26321796
3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 45200875
N-methyl-N-(oxan-4-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25279804
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
ethyl 2-[3-(oxan-4-yloxy)phenyl]-2-oxoacetate
CID 117445953
3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide?
The IUPAC name of N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide (CID 25280901) is N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide.
What is the SMILES notation for N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide?
The canonical SMILES for N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide is CN1CCC(N2CCC(Oc3cccc(C(=O)N(C)C4CCOCC4)c3)CC2)CC1.
What is the InChIKey of N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide?
The InChIKey is HDTKPLHCWDOAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-25-12-6-21(7-13-25)27-14-8-22(9-15-27)30-23-5-3-4-19(18-23)24(28)26(2)20-10-16-29-17-11-20/h3-5,18,20-22H,6-17H2,1-2H3.
What are the key properties of N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide?
N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide has a molecular weight of 415.58 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]oxy-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 25280901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).