methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate

C15H21N3O3 — CID 3017224

IUPACmethyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Nc2ccccc2)(C(N)=O)C(C)C1
InChIInChI=1S/C15H21N3O3/c1-11-10-18(14(20)21-2)9-8-15(11,13(16)19)17-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H2,16,19)
InChIKeyOUODHLPMXVJDFG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.43
Rot. Bonds3

About methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate

methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate (PubChem CID 3017224) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate
PubChem CID3017224
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Nc2ccccc2)(C(N)=O)C(C)C1
InChIInChI=1S/C15H21N3O3/c1-11-10-18(14(20)21-2)9-8-15(11,13(16)19)17-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H2,16,19)
InChIKeyOUODHLPMXVJDFG-UHFFFAOYSA-N
XLogP1.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate?
The IUPAC name of methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate (CID 3017224) is methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate?
The canonical SMILES for methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate is COC(=O)N1CCC(Nc2ccccc2)(C(N)=O)C(C)C1.
What is the InChIKey of methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate?
The InChIKey is OUODHLPMXVJDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-10-18(14(20)21-2)9-8-15(11,13(16)19)17-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H2,16,19).
What are the key properties of methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate?
methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 3017224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).