cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate

C26H33N3O4 — CID 15380716

IUPACcyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate
SMILESO=C(COc1ccc(C(=O)N(Cc2cccnc2)C2CCNCC2)cc1)OC1CCCCC1
InChIInChI=1S/C26H33N3O4/c30-25(33-24-6-2-1-3-7-24)19-32-23-10-8-21(9-11-23)26(31)29(22-12-15-27-16-13-22)18-20-5-4-14-28-17-20/h4-5,8-11,14,17,22,24,27H,1-3,6-7,12-13,15-16,18-19H2
InChIKeyNPZABDCMMAZPMX-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.73
Rot. Bonds8

About cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate

cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate (PubChem CID 15380716) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate
PubChem CID15380716
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Namecyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate
SMILESO=C(COc1ccc(C(=O)N(Cc2cccnc2)C2CCNCC2)cc1)OC1CCCCC1
InChIInChI=1S/C26H33N3O4/c30-25(33-24-6-2-1-3-7-24)19-32-23-10-8-21(9-11-23)26(31)29(22-12-15-27-16-13-22)18-20-5-4-14-28-17-20/h4-5,8-11,14,17,22,24,27H,1-3,6-7,12-13,15-16,18-19H2
InChIKeyNPZABDCMMAZPMX-UHFFFAOYSA-N
XLogP3.73
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate 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

cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate
CID 1192156
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
CID 112738794
N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 37028672
4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 77095410
2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide
CID 55840932
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
N-[[4-[4-[(cycloheptylamino)methyl]phenyl]phenyl]methyl]-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 139943894
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758
N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 122564926
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate?
The IUPAC name of cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate (CID 15380716) is cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate?
The canonical SMILES for cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate is O=C(COc1ccc(C(=O)N(Cc2cccnc2)C2CCNCC2)cc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate?
The InChIKey is NPZABDCMMAZPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c30-25(33-24-6-2-1-3-7-24)19-32-23-10-8-21(9-11-23)26(31)29(22-12-15-27-16-13-22)18-20-5-4-14-28-17-20/h4-5,8-11,14,17,22,24,27H,1-3,6-7,12-13,15-16,18-19H2.
What are the key properties of cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate?
cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate has a molecular weight of 451.57 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 15380716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).