ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate

C26H32N4O5 — CID 39610496

IUPACethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccccc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C26H32N4O5/c1-2-35-26(34)30-17-14-20(15-18-30)28-23(31)13-8-16-27-25(33)21-11-6-7-12-22(21)29-24(32)19-9-4-3-5-10-19/h3-7,9-12,20H,2,8,13-18H2,1H3,(H,27,33)(H,28,31)(H,29,32)
InChIKeyZIQDAXQQPWXMMQ-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.19
Rot. Bonds9

About ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate

ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate (PubChem CID 39610496) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate
PubChem CID39610496
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Nameethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccccc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C26H32N4O5/c1-2-35-26(34)30-17-14-20(15-18-30)28-23(31)13-8-16-27-25(33)21-11-6-7-12-22(21)29-24(32)19-9-4-3-5-10-19/h3-7,9-12,20H,2,8,13-18H2,1H3,(H,27,33)(H,28,31)(H,29,32)
InChIKeyZIQDAXQQPWXMMQ-UHFFFAOYSA-N
XLogP3.19
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[4-[(2,4-dimethylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611649
ethyl 4-[4-(3-phenylpropanoylamino)butanoylamino]piperidine-1-carboxylate
CID 39611703
ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39610234
ethyl 4-[4-[(4-nitrobenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611721
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[N-(2-benzamidoethyl)-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327510
ethyl 4-[[N'-(2-benzamidoethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111042717
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide
CID 46463757
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
ethyl 4-(2-benzoylanilino)piperidine-1-carboxylate
CID 13450696
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate (CID 39610496) is ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccccc2NC(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The InChIKey is ZIQDAXQQPWXMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-2-35-26(34)30-17-14-20(15-18-30)28-23(31)13-8-16-27-25(33)21-11-6-7-12-22(21)29-24(32)19-9-4-3-5-10-19/h3-7,9-12,20H,2,8,13-18H2,1H3,(H,27,33)(H,28,31)(H,29,32).
What are the key properties of ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate has a molecular weight of 480.57 g/mol, XLogP of 3.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 39610496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).