ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate

C26H41N3O6 — CID 39611540

IUPACethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
SMILESCCCCCCOc1ccc(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1OC
InChIInChI=1S/C26H41N3O6/c1-4-6-7-8-18-35-22-12-11-20(19-23(22)33-3)25(31)27-15-9-10-24(30)28-21-13-16-29(17-14-21)26(32)34-5-2/h11-12,19,21H,4-10,13-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyOPPZBOLUHSGAGH-UHFFFAOYSA-N
MW491.63 g/mol
LogP3.90
Rot. Bonds14

About ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate

ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate (PubChem CID 39611540) has the molecular formula C26H41N3O6 and a molecular weight of 491.63 g/mol. Its IUPAC name is ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
PubChem CID39611540
Molecular FormulaC26H41N3O6
Molecular Weight491.63 g/mol
Exact Mass491.30
IUPAC Nameethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
SMILESCCCCCCOc1ccc(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1OC
InChIInChI=1S/C26H41N3O6/c1-4-6-7-8-18-35-22-12-11-20(19-23(22)33-3)25(31)27-15-9-10-24(30)28-21-13-16-29(17-14-21)26(32)34-5-2/h11-12,19,21H,4-10,13-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyOPPZBOLUHSGAGH-UHFFFAOYSA-N
XLogP3.90
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.63
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611533
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide
CID 46469909
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657
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-[(2,4-dimethylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611649
ethyl 4-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 43010695
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate (CID 39611540) is ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate is CCCCCCOc1ccc(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1OC.
What is the InChIKey of ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The InChIKey is OPPZBOLUHSGAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O6/c1-4-6-7-8-18-35-22-12-11-20(19-23(22)33-3)25(31)27-15-9-10-24(30)28-21-13-16-29(17-14-21)26(32)34-5-2/h11-12,19,21H,4-10,13-18H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate has a molecular weight of 491.63 g/mol, XLogP of 3.90, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 39611540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).