benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate

C16H22N2O4 — CID 163554835

IUPACbenzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)CNC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O4/c1-21-15(19)11-17-14-7-9-18(10-8-14)16(20)22-12-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
InChIKeyFMDNVTGESFESDE-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.55
Rot. Bonds5

About benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate

benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate (PubChem CID 163554835) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
PubChem CID163554835
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namebenzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)CNC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O4/c1-21-15(19)11-17-14-7-9-18(10-8-14)16(20)22-12-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
InChIKeyFMDNVTGESFESDE-UHFFFAOYSA-N
XLogP1.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66564221
benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
CID 170993979
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
CID 170459943
benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 97168111
benzyl 4-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 71648259
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (3S)-3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 58834378
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 108562757
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate (CID 163554835) is benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate is COC(=O)CNC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate?
The InChIKey is FMDNVTGESFESDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-15(19)11-17-14-7-9-18(10-8-14)16(20)22-12-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3.
What are the key properties of benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate?
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 163554835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).