methyl 4-(2-methoxyanilino)piperidine-4-carboxylate

C14H20N2O3 — CID 61245036

IUPACmethyl 4-(2-methoxyanilino)piperidine-4-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2OC)CCNCC1
InChIInChI=1S/C14H20N2O3/c1-18-12-6-4-3-5-11(12)16-14(13(17)19-2)7-9-15-10-8-14/h3-6,15-16H,7-10H2,1-2H3
InChIKeyLKPDZRRQLOTRIU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.40
Rot. Bonds4

About methyl 4-(2-methoxyanilino)piperidine-4-carboxylate

methyl 4-(2-methoxyanilino)piperidine-4-carboxylate (PubChem CID 61245036) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-(2-methoxyanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxyanilino)piperidine-4-carboxylate
PubChem CID61245036
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 4-(2-methoxyanilino)piperidine-4-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2OC)CCNCC1
InChIInChI=1S/C14H20N2O3/c1-18-12-6-4-3-5-11(12)16-14(13(17)19-2)7-9-15-10-8-14/h3-6,15-16H,7-10H2,1-2H3
InChIKeyLKPDZRRQLOTRIU-UHFFFAOYSA-N
XLogP1.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
CID 54890268
methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
CID 64513805
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
ethyl 3-(2-methoxyanilino)thiolane-3-carboxylate
CID 54890456
3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166159
2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120889693
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
3-(2-methoxyanilino)-5-methylthiolane-3-carboxylic acid
CID 79950602
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxyanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(2-methoxyanilino)piperidine-4-carboxylate (CID 61245036) is methyl 4-(2-methoxyanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxyanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(2-methoxyanilino)piperidine-4-carboxylate is COC(=O)C1(Nc2ccccc2OC)CCNCC1.
What is the InChIKey of methyl 4-(2-methoxyanilino)piperidine-4-carboxylate?
The InChIKey is LKPDZRRQLOTRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-6-4-3-5-11(12)16-14(13(17)19-2)7-9-15-10-8-14/h3-6,15-16H,7-10H2,1-2H3.
What are the key properties of methyl 4-(2-methoxyanilino)piperidine-4-carboxylate?
methyl 4-(2-methoxyanilino)piperidine-4-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxyanilino)piperidine-4-carboxylate is sourced from PubChem (CID 61245036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).