benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate

C19H28N2O4 — CID 68594622

IUPACbenzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
SMILESCC(C)(CNC(=O)OCc1ccccc1)CC(=O)N1CCC(O)CC1
InChIInChI=1S/C19H28N2O4/c1-19(2,12-17(23)21-10-8-16(22)9-11-21)14-20-18(24)25-13-15-6-4-3-5-7-15/h3-7,16,22H,8-14H2,1-2H3,(H,20,24)
InChIKeyUEVKEUQVEFQSMC-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.31
Rot. Bonds6

About benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate

benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate (PubChem CID 68594622) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
PubChem CID68594622
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebenzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
SMILESCC(C)(CNC(=O)OCc1ccccc1)CC(=O)N1CCC(O)CC1
InChIInChI=1S/C19H28N2O4/c1-19(2,12-17(23)21-10-8-16(22)9-11-21)14-20-18(24)25-13-15-6-4-3-5-7-15/h3-7,16,22H,8-14H2,1-2H3,(H,20,24)
InChIKeyUEVKEUQVEFQSMC-UHFFFAOYSA-N
XLogP2.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
tert-butyl 4-[2-(phenylmethoxycarbonylamino)ethylamino]piperidine-1-carboxylate
CID 18971591
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
tert-butyl 3-hydroxy-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
CID 68809547
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)azepane-1-carboxylate
CID 137424963
benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate
CID 90204036
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl N-[2-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 138750839
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamate;hydrochloride
CID 126843068
benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate
CID 112504938

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate?
The IUPAC name of benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate (CID 68594622) is benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate.
What is the SMILES notation for benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate?
The canonical SMILES for benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate is CC(C)(CNC(=O)OCc1ccccc1)CC(=O)N1CCC(O)CC1.
What is the InChIKey of benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate?
The InChIKey is UEVKEUQVEFQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,12-17(23)21-10-8-16(22)9-11-21)14-20-18(24)25-13-15-6-4-3-5-7-15/h3-7,16,22H,8-14H2,1-2H3,(H,20,24).
What are the key properties of benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate?
benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate has a molecular weight of 348.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate is sourced from PubChem (CID 68594622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).