[4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate

C20H30N2O5 — CID 175163685

IUPAC[4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC(O)c1ccc(COC(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H30N2O5/c1-20(2,3)27-18(24)21-13-17(23)16-9-7-15(8-10-16)14-26-19(25)22-11-5-4-6-12-22/h7-10,17,23H,4-6,11-14H2,1-3H3,(H,21,24)
InChIKeyJARWZZXEUTUFIK-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.37
Rot. Bonds5

About [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate

[4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate (PubChem CID 175163685) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate
PubChem CID175163685
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name[4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC(O)c1ccc(COC(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H30N2O5/c1-20(2,3)27-18(24)21-13-17(23)16-9-7-15(8-10-16)14-26-19(25)22-11-5-4-6-12-22/h7-10,17,23H,4-6,11-14H2,1-3H3,(H,21,24)
InChIKeyJARWZZXEUTUFIK-UHFFFAOYSA-N
XLogP3.37
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 23586222
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1-carboxylate
CID 68754722
tert-butyl N-[(2S)-2-hydroxy-2-(4-iodophenyl)ethyl]carbamate
CID 51441490
benzyl piperidine-1-carboxylate
CID 158057698
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
benzyl 2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate
CID 91450223
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
benzyl 4-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 22229204
tert-butyl 4-(1-phenylmethoxycarbonylpyrrolidine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 54491210
(4-aminophenyl)methyl piperidine-1-carboxylate
CID 67586124
(4-acetamidophenyl)methyl piperidine-1-carboxylate
CID 67794998
benzyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 59753506

Frequently Asked Questions

What is the IUPAC name of [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate?
The IUPAC name of [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate (CID 175163685) is [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate.
What is the SMILES notation for [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate?
The canonical SMILES for [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate is CC(C)(C)OC(=O)NCC(O)c1ccc(COC(=O)N2CCCCC2)cc1.
What is the InChIKey of [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate?
The InChIKey is JARWZZXEUTUFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-20(2,3)27-18(24)21-13-17(23)16-9-7-15(8-10-16)14-26-19(25)22-11-5-4-6-12-22/h7-10,17,23H,4-6,11-14H2,1-3H3,(H,21,24).
What are the key properties of [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate?
[4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]methyl piperidine-1-carboxylate is sourced from PubChem (CID 175163685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).