ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate

C19H25Cl2N3O4 — CID 50898226

IUPACethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H25Cl2N3O4/c1-4-28-16(25)12-7-9-24(10-8-12)17(26)19(2,3)23-18(27)22-15-6-5-13(20)11-14(15)21/h5-6,11-12H,4,7-10H2,1-3H3,(H2,22,23,27)
InChIKeyWKGQAVHYVHTCRH-UHFFFAOYSA-N
MW430.33 g/mol
LogP3.70
Rot. Bonds5

About ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate

ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate (PubChem CID 50898226) has the molecular formula C19H25Cl2N3O4 and a molecular weight of 430.33 g/mol. Its IUPAC name is ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate
PubChem CID50898226
Molecular FormulaC19H25Cl2N3O4
Molecular Weight430.33 g/mol
Exact Mass429.12
IUPAC Nameethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H25Cl2N3O4/c1-4-28-16(25)12-7-9-24(10-8-12)17(26)19(2,3)23-18(27)22-15-6-5-13(20)11-14(15)21/h5-6,11-12H,4,7-10H2,1-3H3,(H2,22,23,27)
InChIKeyWKGQAVHYVHTCRH-UHFFFAOYSA-N
XLogP3.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate (CID 50898226) is ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate?
The InChIKey is WKGQAVHYVHTCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O4/c1-4-28-16(25)12-7-9-24(10-8-12)17(26)19(2,3)23-18(27)22-15-6-5-13(20)11-14(15)21/h5-6,11-12H,4,7-10H2,1-3H3,(H2,22,23,27).
What are the key properties of ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate has a molecular weight of 430.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2,4-dichlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 50898226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).