methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate

C16H20N2O5 — CID 119109496

IUPACmethyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C16H20N2O5/c1-22-16(21)12-3-2-8-18(9-12)15(20)11-4-6-13(7-5-11)23-10-14(17)19/h4-7,12H,2-3,8-10H2,1H3,(H2,17,19)
InChIKeyVWDREQKKKAMORL-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.58
Rot. Bonds5

About methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate

methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate (PubChem CID 119109496) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate
PubChem CID119109496
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namemethyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C16H20N2O5/c1-22-16(21)12-3-2-8-18(9-12)15(20)11-4-6-13(7-5-11)23-10-14(17)19/h4-7,12H,2-3,8-10H2,1H3,(H2,17,19)
InChIKeyVWDREQKKKAMORL-UHFFFAOYSA-N
XLogP0.58
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
methyl (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate
CID 78919442
methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
CID 78918965
methyl 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylate
CID 78918831
methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
methyl 1-(3-amino-4-methylbenzoyl)piperidine-3-carboxylate
CID 110488213
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 119129466
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate (CID 119109496) is methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)C1.
What is the InChIKey of methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate?
The InChIKey is VWDREQKKKAMORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-22-16(21)12-3-2-8-18(9-12)15(20)11-4-6-13(7-5-11)23-10-14(17)19/h4-7,12H,2-3,8-10H2,1H3,(H2,17,19).
What are the key properties of methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate?
methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 119109496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).