tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate

C19H28N2O5 — CID 24885053

IUPACtert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
SMILESCOc1ccccc1NC(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-18(23)21-11-9-14(10-12-21)13-25-17(22)20-15-7-5-6-8-16(15)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)
InChIKeySAXGSDIZIYFNKD-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.89
Rot. Bonds4

About tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate

tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate (PubChem CID 24885053) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
PubChem CID24885053
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Nametert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
SMILESCOc1ccccc1NC(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-18(23)21-11-9-14(10-12-21)13-25-17(22)20-15-7-5-6-8-16(15)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)
InChIKeySAXGSDIZIYFNKD-UHFFFAOYSA-N
XLogP3.89
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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LR 511
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tert-butyl N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}carbamate
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tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
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N-(2-Methoxyphenyl)-2-morpholinoacetamide
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Carbamic acid, N-(2-(heptyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)
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N-(2-methoxyphenyl)-3-(4-methylpiperazinyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate (CID 24885053) is tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate is COc1ccccc1NC(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate?
The InChIKey is SAXGSDIZIYFNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-19(2,3)26-18(23)21-11-9-14(10-12-21)13-25-17(22)20-15-7-5-6-8-16(15)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 24885053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).