4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide

C29H33N3O4 — CID 141280450

IUPAC4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide
SMILESNCCC1CCN(C(=O)c2cc(OCCc3ccccc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1
InChIInChI=1S/C29H33N3O4/c30-14-10-22-11-15-32(16-12-22)29(34)24-18-26(35-17-13-21-4-2-1-3-5-21)20-27(19-24)36-25-8-6-23(7-9-25)28(31)33/h1-9,18-20,22H,10-17,30H2,(H2,31,33)
InChIKeyJZJMXAGZBYRJOO-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.40
Rot. Bonds10

About 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide

4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide (PubChem CID 141280450) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide.

Molecular Properties

Compound Name4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide
PubChem CID141280450
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide
SMILESNCCC1CCN(C(=O)c2cc(OCCc3ccccc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1
InChIInChI=1S/C29H33N3O4/c30-14-10-22-11-15-32(16-12-22)29(34)24-18-26(35-17-13-21-4-2-1-3-5-21)20-27(19-24)36-25-8-6-23(7-9-25)28(31)33/h1-9,18-20,22H,10-17,30H2,(H2,31,33)
InChIKeyJZJMXAGZBYRJOO-UHFFFAOYSA-N
XLogP4.40
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide?
The IUPAC name of 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide (CID 141280450) is 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide.
What is the SMILES notation for 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide?
The canonical SMILES for 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide is NCCC1CCN(C(=O)c2cc(OCCc3ccccc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1.
What is the InChIKey of 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide?
The InChIKey is JZJMXAGZBYRJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c30-14-10-22-11-15-32(16-12-22)29(34)24-18-26(35-17-13-21-4-2-1-3-5-21)20-27(19-24)36-25-8-6-23(7-9-25)28(31)33/h1-9,18-20,22H,10-17,30H2,(H2,31,33).
What are the key properties of 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide?
4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide has a molecular weight of 487.60 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(2-phenylethoxy)phenoxy]benzamide is sourced from PubChem (CID 141280450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).