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

C19H26ClN3O4 — CID 46947860

IUPACethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H26ClN3O4/c1-4-27-16(24)13-9-11-23(12-10-13)17(25)19(2,3)22-18(26)21-15-8-6-5-7-14(15)20/h5-8,13H,4,9-12H2,1-3H3,(H2,21,22,26)
InChIKeyOYUKTDHJKYJEGC-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.04
Rot. Bonds5

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

ethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate (PubChem CID 46947860) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is ethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate
PubChem CID46947860
Molecular FormulaC19H26ClN3O4
Molecular Weight395.89 g/mol
Exact Mass395.16
IUPAC Nameethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H26ClN3O4/c1-4-27-16(24)13-9-11-23(12-10-13)17(25)19(2,3)22-18(26)21-15-8-6-5-7-14(15)20/h5-8,13H,4,9-12H2,1-3H3,(H2,21,22,26)
InChIKeyOYUKTDHJKYJEGC-UHFFFAOYSA-N
XLogP3.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.04
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-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate (CID 46947860) is ethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of ethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate?
The InChIKey is OYUKTDHJKYJEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O4/c1-4-27-16(24)13-9-11-23(12-10-13)17(25)19(2,3)22-18(26)21-15-8-6-5-7-14(15)20/h5-8,13H,4,9-12H2,1-3H3,(H2,21,22,26).
What are the key properties of ethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate has a molecular weight of 395.89 g/mol, XLogP of 3.04, 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-chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 46947860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).