ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate

C17H24N2O3 — CID 78782540

IUPACethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN(C)c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)14-8-7-11-19(12-14)16(20)13-18(2)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3
InChIKeyKBYDTNJHHAJKER-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.92
Rot. Bonds5

About ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate (PubChem CID 78782540) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
PubChem CID78782540
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN(C)c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)14-8-7-11-19(12-14)16(20)13-18(2)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3
InChIKeyKBYDTNJHHAJKER-UHFFFAOYSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 56809362
ethyl (3R)-1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 95378613
ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate
CID 46418830
ethyl 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate
CID 84553269
ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
CID 42698854
ethyl (3S)-1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]piperidine-3-carboxylate
CID 2485823
ethyl (3S)-1-[2-[4-[benzyl(propanoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329378
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147
ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
CID 25163543

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate (CID 78782540) is ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CN(C)c2ccccc2)C1.
What is the InChIKey of ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate?
The InChIKey is KBYDTNJHHAJKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-22-17(21)14-8-7-11-19(12-14)16(20)13-18(2)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3.
What are the key properties of ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 78782540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).