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

C20H25N5O4 — CID 166251424

IUPACbenzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Cn2cc(CN3CCOC3=O)nn2)CC1
InChIInChI=1S/C20H25N5O4/c26-19(29-15-17-4-2-1-3-5-17)23-8-6-16(7-9-23)12-25-14-18(21-22-25)13-24-10-11-28-20(24)27/h1-5,14,16H,6-13,15H2
InChIKeyBDHCTGXBDHUHHM-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.28
Rot. Bonds6

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

benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 166251424) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate
PubChem CID166251424
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Namebenzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Cn2cc(CN3CCOC3=O)nn2)CC1
InChIInChI=1S/C20H25N5O4/c26-19(29-15-17-4-2-1-3-5-17)23-8-6-16(7-9-23)12-25-14-18(21-22-25)13-24-10-11-28-20(24)27/h1-5,14,16H,6-13,15H2
InChIKeyBDHCTGXBDHUHHM-UHFFFAOYSA-N
XLogP2.28
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl 4-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxylate
CID 75481460
benzyl 4-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]piperidine-1-carboxylate
CID 162374875
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
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-[(cyclohexylmethyldisulfanyl)methyl]piperidine-1-carboxylate
CID 167619459
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[[5-(chloromethyl)imidazol-1-yl]methyl]piperidine-1-carboxylate;hydrochloride
CID 18670921
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

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate (CID 166251424) is benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(Cn2cc(CN3CCOC3=O)nn2)CC1.
What is the InChIKey of benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is BDHCTGXBDHUHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-19(29-15-17-4-2-1-3-5-17)23-8-6-16(7-9-23)12-25-14-18(21-22-25)13-24-10-11-28-20(24)27/h1-5,14,16H,6-13,15H2.
What are the key properties of benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate?
benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 166251424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).