benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate

C18H22N2O4 — CID 162374875

IUPACbenzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate
SMILESO=C1OC=CCN1CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H22N2O4/c21-17(24-14-16-5-2-1-3-6-16)19-10-7-15(8-11-19)13-20-9-4-12-23-18(20)22/h1-6,12,15H,7-11,13-14H2
InChIKeyACRMWGQRZVGMEW-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.00
Rot. Bonds4

About benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate

benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate (PubChem CID 162374875) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate
PubChem CID162374875
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namebenzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate
SMILESO=C1OC=CCN1CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H22N2O4/c21-17(24-14-16-5-2-1-3-6-16)19-10-7-15(8-11-19)13-20-9-4-12-23-18(20)22/h1-6,12,15H,7-11,13-14H2
InChIKeyACRMWGQRZVGMEW-UHFFFAOYSA-N
XLogP3.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
1-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]azetidine-3-carboxylic acid
CID 167720546
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 96555481
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
(3S,5S)-3,5-dimethyl-4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylic acid
CID 170434369
benzyl 4-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxylate
CID 75481460

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate (CID 162374875) is benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate is O=C1OC=CCN1CC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate?
The InChIKey is ACRMWGQRZVGMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-17(24-14-16-5-2-1-3-6-16)19-10-7-15(8-11-19)13-20-9-4-12-23-18(20)22/h1-6,12,15H,7-11,13-14H2.
What are the key properties of benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate?
benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 162374875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).