3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide

C24H29N3O3 — CID 10201455

IUPAC3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCCCC2COc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C24H29N3O3/c25-24(29)18-6-5-8-20(16-18)26-14-3-1-7-21(26)17-30-22-12-10-19(11-13-22)27-15-4-2-9-23(27)28/h5-6,8,10-13,16,21H,1-4,7,9,14-15,17H2,(H2,25,29)
InChIKeyDVTJJKOETDKWRL-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.74
Rot. Bonds6

About 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide

3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide (PubChem CID 10201455) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide
PubChem CID10201455
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCCCC2COc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C24H29N3O3/c25-24(29)18-6-5-8-20(16-18)26-14-3-1-7-21(26)17-30-22-12-10-19(11-13-22)27-15-4-2-9-23(27)28/h5-6,8,10-13,16,21H,1-4,7,9,14-15,17H2,(H2,25,29)
InChIKeyDVTJJKOETDKWRL-UHFFFAOYSA-N
XLogP3.74
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]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

3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 10294777
3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 142170139
2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid
CID 10228430
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8725942
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide
CID 12018193
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
1-[4-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one;hydrochloride
CID 119633021
ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 32621761
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide?
The IUPAC name of 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide (CID 10201455) is 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide.
What is the SMILES notation for 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide?
The canonical SMILES for 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide is NC(=O)c1cccc(N2CCCCC2COc2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide?
The InChIKey is DVTJJKOETDKWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c25-24(29)18-6-5-8-20(16-18)26-14-3-1-7-21(26)17-30-22-12-10-19(11-13-22)27-15-4-2-9-23(27)28/h5-6,8,10-13,16,21H,1-4,7,9,14-15,17H2,(H2,25,29).
What are the key properties of 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide?
3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 10201455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).