benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate

C23H26N2O4 — CID 22068175

IUPACbenzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CCCn2oc3ccccc3c2=O)CC1
InChIInChI=1S/C23H26N2O4/c26-22-20-10-4-5-11-21(20)29-25(22)14-6-9-18-12-15-24(16-13-18)23(27)28-17-19-7-2-1-3-8-19/h1-5,7-8,10-11,18H,6,9,12-17H2
InChIKeyLDPUREGAGJOCNR-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.42
Rot. Bonds6

About benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate

benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate (PubChem CID 22068175) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate
PubChem CID22068175
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namebenzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CCCn2oc3ccccc3c2=O)CC1
InChIInChI=1S/C23H26N2O4/c26-22-20-10-4-5-11-21(20)29-25(22)14-6-9-18-12-15-24(16-13-18)23(27)28-17-19-7-2-1-3-8-19/h1-5,7-8,10-11,18H,6,9,12-17H2
InChIKeyLDPUREGAGJOCNR-UHFFFAOYSA-N
XLogP4.42
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
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CID 58306239
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl 4-(3-aminosulfanyl-3-oxopropyl)piperidine-1-carboxylate
CID 18969275
benzyl 4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperazine-1-carboxylate
CID 166066109
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate
CID 18187454
benzyl 4-(3-hydrazinyl-3-oxopropyl)piperidine-1-carboxylate
CID 11335745
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[2-(2-cyclohexylethyldisulfanyl)ethyl]piperidine-1-carboxylate
CID 167631664
benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
CID 66689754
benzyl 4-(2-benzylsulfonylethyl)piperidine-1-carboxylate
CID 171485073

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate (CID 22068175) is benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(CCCn2oc3ccccc3c2=O)CC1.
What is the InChIKey of benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate?
The InChIKey is LDPUREGAGJOCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-22-20-10-4-5-11-21(20)29-25(22)14-6-9-18-12-15-24(16-13-18)23(27)28-17-19-7-2-1-3-8-19/h1-5,7-8,10-11,18H,6,9,12-17H2.
What are the key properties of benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate?
benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 22068175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).