2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide

C28H32N2O3 — CID 139616736

IUPAC2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H32N2O3/c31-28(29-16-19-30-17-8-3-9-18-30)26-20-25(32-21-23-10-4-1-5-11-23)14-15-27(26)33-22-24-12-6-2-7-13-24/h1-2,4-7,10-15,20H,3,8-9,16-19,21-22H2,(H,29,31)
InChIKeyVSERVHPFPWUOEJ-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.06
Rot. Bonds10

About 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide

2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 139616736) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID139616736
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H32N2O3/c31-28(29-16-19-30-17-8-3-9-18-30)26-20-25(32-21-23-10-4-1-5-11-23)14-15-27(26)33-22-24-12-6-2-7-13-24/h1-2,4-7,10-15,20H,3,8-9,16-19,21-22H2,(H,29,31)
InChIKeyVSERVHPFPWUOEJ-UHFFFAOYSA-N
XLogP5.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide
CID 67718157
N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide
CID 67653350
2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405904
4-phenylmethoxy-N-(2-piperidin-1-ylethyl)-1-propylindole-2-carboxamide
CID 42804025
N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide
CID 67833101
3-[2,5-bis(phenylmethoxy)phenyl]-3-oxopropanoic acid
CID 170887038
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 72710604
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-phenylmethoxyphenyl]-3-phenylpropan-1-one
CID 10005083
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
CID 171385071
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide (CID 139616736) is 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1cc(OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is VSERVHPFPWUOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c31-28(29-16-19-30-17-8-3-9-18-30)26-20-25(32-21-23-10-4-1-5-11-23)14-15-27(26)33-22-24-12-6-2-7-13-24/h1-2,4-7,10-15,20H,3,8-9,16-19,21-22H2,(H,29,31).
What are the key properties of 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide?
2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 444.58 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 139616736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).