ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate

C15H20N2O3 — CID 43648283

IUPACethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1ccc(N)cc1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)13-5-3-4-10-17(13)14(18)11-6-8-12(16)9-7-11/h6-9,13H,2-5,10,16H2,1H3
InChIKeyZNANOKRBVYUZRN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.83
Rot. Bonds3

About ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate

ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate (PubChem CID 43648283) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
PubChem CID43648283
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1ccc(N)cc1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)13-5-3-4-10-17(13)14(18)11-6-8-12(16)9-7-11/h6-9,13H,2-5,10,16H2,1H3
InChIKeyZNANOKRBVYUZRN-UHFFFAOYSA-N
XLogP1.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate
CID 46987837
ethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627941
ethyl (2S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-2-carboxylate
CID 52812175
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
ethyl (2S)-1-(4-decoxybenzoyl)pyrrolidine-2-carboxylate
CID 56622228
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate (CID 43648283) is ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1ccc(N)cc1.
What is the InChIKey of ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate?
The InChIKey is ZNANOKRBVYUZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-15(19)13-5-3-4-10-17(13)14(18)11-6-8-12(16)9-7-11/h6-9,13H,2-5,10,16H2,1H3.
What are the key properties of ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate?
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 43648283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).