1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

C23H27N3O4 — CID 46387291

IUPAC1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C23H27N3O4/c1-30-15-12-24-21(27)18-10-13-26(14-11-18)23(29)19-8-5-9-20(16-19)25-22(28)17-6-3-2-4-7-17/h2-9,16,18H,10-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyIHZRIMSTYIDIRO-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.55
Rot. Bonds7

About 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 46387291) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID46387291
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C23H27N3O4/c1-30-15-12-24-21(27)18-10-13-26(14-11-18)23(29)19-8-5-9-20(16-19)25-22(28)17-6-3-2-4-7-17/h2-9,16,18H,10-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyIHZRIMSTYIDIRO-UHFFFAOYSA-N
XLogP2.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
N-(2-methoxyethyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973983
1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide
CID 46387263
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 46387307
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-(2-methoxyethyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54842818
1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 20972958

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 46387291) is 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC1.
What is the InChIKey of 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is IHZRIMSTYIDIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-30-15-12-24-21(27)18-10-13-26(14-11-18)23(29)19-8-5-9-20(16-19)25-22(28)17-6-3-2-4-7-17/h2-9,16,18H,10-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46387291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).