N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide

C26H33N3O3 — CID 86950753

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
SMILESCc1ccc(OCc2cccc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)c2)cn1
InChIInChI=1S/C26H33N3O3/c1-19-10-11-24(17-27-19)32-18-20-6-5-9-22(16-20)25(30)28-23-12-14-29(15-13-23)26(31)21-7-3-2-4-8-21/h5-6,9-11,16-17,21,23H,2-4,7-8,12-15,18H2,1H3,(H,28,30)
InChIKeyGYJJWBCRACWUSL-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.27
Rot. Bonds6

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide (PubChem CID 86950753) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
PubChem CID86950753
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
SMILESCc1ccc(OCc2cccc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)c2)cn1
InChIInChI=1S/C26H33N3O3/c1-19-10-11-24(17-27-19)32-18-20-6-5-9-22(16-20)25(30)28-23-12-14-29(15-13-23)26(31)21-7-3-2-4-8-21/h5-6,9-11,16-17,21,23H,2-4,7-8,12-15,18H2,1H3,(H,28,30)
InChIKeyGYJJWBCRACWUSL-UHFFFAOYSA-N
XLogP4.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 139012938
N-(2-amino-1-cyclohexylethyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119589690
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone
CID 119517657
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone;dihydrochloride
CID 119517656
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46454126
1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119355401
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
CID 120535893
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55690965

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide (CID 86950753) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide is Cc1ccc(OCc2cccc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)c2)cn1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
The InChIKey is GYJJWBCRACWUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-19-10-11-24(17-27-19)32-18-20-6-5-9-22(16-20)25(30)28-23-12-14-29(15-13-23)26(31)21-7-3-2-4-8-21/h5-6,9-11,16-17,21,23H,2-4,7-8,12-15,18H2,1H3,(H,28,30).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide is sourced from PubChem (CID 86950753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).