tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate

C17H32N2O4 — CID 71848369

IUPACtert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(CCO)CNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O4/c1-13(7-10-20)12-18-15(21)11-14-5-8-19(9-6-14)16(22)23-17(2,3)4/h13-14,20H,5-12H2,1-4H3,(H,18,21)
InChIKeyMQZRGKVZBJWOIH-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.16
Rot. Bonds6

About tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 71848369) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID71848369
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(CCO)CNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O4/c1-13(7-10-20)12-18-15(21)11-14-5-8-19(9-6-14)16(22)23-17(2,3)4/h13-14,20H,5-12H2,1-4H3,(H,18,21)
InChIKeyMQZRGKVZBJWOIH-UHFFFAOYSA-N
XLogP2.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate (CID 71848369) is tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate is CC(CCO)CNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is MQZRGKVZBJWOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-13(7-10-20)12-18-15(21)11-14-5-8-19(9-6-14)16(22)23-17(2,3)4/h13-14,20H,5-12H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 328.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 71848369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).