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

C24H37N3O6 — CID 39611533

IUPACethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
SMILESCCCCOc1ccc(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1OC
InChIInChI=1S/C24H37N3O6/c1-4-6-16-33-20-10-9-18(17-21(20)31-3)23(29)25-13-7-8-22(28)26-19-11-14-27(15-12-19)24(30)32-5-2/h9-10,17,19H,4-8,11-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyPERQGFLHHVRYDK-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.12
Rot. Bonds12

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

ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate (PubChem CID 39611533) has the molecular formula C24H37N3O6 and a molecular weight of 463.58 g/mol. Its IUPAC name is ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
PubChem CID39611533
Molecular FormulaC24H37N3O6
Molecular Weight463.58 g/mol
Exact Mass463.27
IUPAC Nameethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
SMILESCCCCOc1ccc(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1OC
InChIInChI=1S/C24H37N3O6/c1-4-6-16-33-20-10-9-18(17-21(20)31-3)23(29)25-13-7-8-22(28)26-19-11-14-27(15-12-19)24(30)32-5-2/h9-10,17,19H,4-8,11-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyPERQGFLHHVRYDK-UHFFFAOYSA-N
XLogP3.12
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.12
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-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611540
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
ethyl 4-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 43010695
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
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide
CID 46469909
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate (CID 39611533) is ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate is CCCCOc1ccc(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1OC.
What is the InChIKey of ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The InChIKey is PERQGFLHHVRYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O6/c1-4-6-16-33-20-10-9-18(17-21(20)31-3)23(29)25-13-7-8-22(28)26-19-11-14-27(15-12-19)24(30)32-5-2/h9-10,17,19H,4-8,11-16H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 3.12, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 39611533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).