ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate

C16H22N2O3 — CID 61377643

IUPACethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccccc2NC)C1
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)12-7-6-10-18(11-12)15(19)13-8-4-5-9-14(13)17-2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3
InChIKeyZBHCHSRDKLFSDU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.14
Rot. Bonds4

About ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate

ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate (PubChem CID 61377643) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
PubChem CID61377643
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccccc2NC)C1
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)12-7-6-10-18(11-12)15(19)13-8-4-5-9-14(13)17-2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3
InChIKeyZBHCHSRDKLFSDU-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 51163973
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
ethyl 1-[2-[2-(dicyanomethylidene)hydrazinyl]benzoyl]piperidine-3-carboxylate
CID 169340182
ethyl (3R)-1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylate
CID 81338642
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
ethyl 1-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperidine-3-carboxylate
CID 55526839
ethyl (3R)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 81338802
ethyl (3S)-1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylate
CID 81338377

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate (CID 61377643) is ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccccc2NC)C1.
What is the InChIKey of ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate?
The InChIKey is ZBHCHSRDKLFSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-16(20)12-7-6-10-18(11-12)15(19)13-8-4-5-9-14(13)17-2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3.
What are the key properties of ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate?
ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 61377643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).