4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid

C18H24N2O6 — CID 18536406

IUPAC4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1(CNC(=O)OCc2ccccc2)CCN(C(=O)O)CC1
InChIInChI=1S/C18H24N2O6/c1-2-25-15(21)18(8-10-20(11-9-18)17(23)24)13-19-16(22)26-12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,19,22)(H,23,24)
InChIKeyKUBXKSJSSLGAPF-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.24
Rot. Bonds6

About 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid

4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid (PubChem CID 18536406) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
PubChem CID18536406
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1(CNC(=O)OCc2ccccc2)CCN(C(=O)O)CC1
InChIInChI=1S/C18H24N2O6/c1-2-25-15(21)18(8-10-20(11-9-18)17(23)24)13-19-16(22)26-12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,19,22)(H,23,24)
InChIKeyKUBXKSJSSLGAPF-UHFFFAOYSA-N
XLogP2.24
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
4-ethoxycarbonyl-4-(phenylmethoxymethyl)piperidine-1-carboxylic acid
CID 154035201
1-O-tert-butyl 4-O-methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-1,4-dicarboxylate
CID 68992342
1-O-benzyl 3-O-ethyl (3S)-3-(hydroxymethyl)pyrrolidine-1,3-dicarboxylate
CID 155818759
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
3,3-diethyl-1-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylic acid
CID 165485509
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
1-O-benzyl 4-O-ethyl 4-methyl-5-oxoazepane-1,4-dicarboxylate
CID 169265710
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid
CID 122625042
1-O-benzyl 3-O-ethyl (3R)-3-phenylpyrrolidine-1,3-dicarboxylate
CID 125479602

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid (CID 18536406) is 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid is CCOC(=O)C1(CNC(=O)OCc2ccccc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid?
The InChIKey is KUBXKSJSSLGAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-2-25-15(21)18(8-10-20(11-9-18)17(23)24)13-19-16(22)26-12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid?
4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 18536406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).