methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate

C16H24N2O3 — CID 60993286

IUPACmethyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
SMILESCCN1CCC(Nc2cccc(OC)c2)(C(=O)OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-18-10-8-16(9-11-18,15(19)21-3)17-13-6-5-7-14(12-13)20-2/h5-7,12,17H,4,8-11H2,1-3H3
InChIKeyYPHZGHIHFGYKIP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.13
Rot. Bonds5

About methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate

methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate (PubChem CID 60993286) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
PubChem CID60993286
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
SMILESCCN1CCC(Nc2cccc(OC)c2)(C(=O)OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-18-10-8-16(9-11-18,15(19)21-3)17-13-6-5-7-14(12-13)20-2/h5-7,12,17H,4,8-11H2,1-3H3
InChIKeyYPHZGHIHFGYKIP-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-ethyl-4-(3-methoxyanilino)piperidin-4-yl]methanol
CID 61048674
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate
CID 79044565
ethyl 3-(3-methoxyanilino)thiolane-3-carboxylate
CID 54890596
ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563491
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81472733
4-(3-bromoanilino)-1-ethylpiperidine-4-carboxylic acid
CID 54890731
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
1-(2-ethoxyacetyl)-4-(3-methoxyanilino)-N,N-dimethylpiperidine-4-carboxamide
CID 155879122
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155879928

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate (CID 60993286) is methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate is CCN1CCC(Nc2cccc(OC)c2)(C(=O)OC)CC1.
What is the InChIKey of methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate?
The InChIKey is YPHZGHIHFGYKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18-10-8-16(9-11-18,15(19)21-3)17-13-6-5-7-14(12-13)20-2/h5-7,12,17H,4,8-11H2,1-3H3.
What are the key properties of methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate?
methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate is sourced from PubChem (CID 60993286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).