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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Related Compounds

4-[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(3-aminopropoxy)phenoxy]benzenecarboximidamide
CID 66818658
3-[[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(4-cyanophenoxy)phenoxy]methyl]benzonitrile
CID 141280516
4-[[4-[4-(2-aminoethyl)piperidine-1-carbonyl]-6-(4-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide
CID 66818889
4-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]benzamide
CID 56545792
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-phenylethoxy)phenyl]methanone
CID 125448030
3-(4-cyanophenoxy)-5-(2-phenylethoxy)benzoic acid
CID 66818728
[4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone
CID 141280408
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
3-(2-phenylethoxy)benzamide
CID 17135006
4-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]-5-(4-carbamimidoylphenoxy)phenoxy]benzenecarboximidamide
CID 66818737

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).