3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

C27H28N2O4 — CID 26168534

IUPAC3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C27H28N2O4/c30-26(28-23-11-7-10-22(19-23)27(31)29-15-5-2-6-16-29)21-9-8-14-25(20-21)33-18-17-32-24-12-3-1-4-13-24/h1,3-4,7-14,19-20H,2,5-6,15-18H2,(H,28,30)
InChIKeyJYIBWSXDBIUTPF-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.02
Rot. Bonds8

About 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 26168534) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID26168534
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C27H28N2O4/c30-26(28-23-11-7-10-22(19-23)27(31)29-15-5-2-6-16-29)21-9-8-14-25(20-21)33-18-17-32-24-12-3-1-4-13-24/h1,3-4,7-14,19-20H,2,5-6,15-18H2,(H,28,30)
InChIKeyJYIBWSXDBIUTPF-UHFFFAOYSA-N
XLogP5.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(azepane-1-carbonyl)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 26159512
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679
N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168496
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17199103
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (CID 26168534) is 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is JYIBWSXDBIUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c30-26(28-23-11-7-10-22(19-23)27(31)29-15-5-2-6-16-29)21-9-8-14-25(20-21)33-18-17-32-24-12-3-1-4-13-24/h1,3-4,7-14,19-20H,2,5-6,15-18H2,(H,28,30).
What are the key properties of 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 444.53 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26168534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).