benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate

C23H30N2O4 — CID 86697979

IUPACbenzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate
SMILESCC(C)Oc1cc(C2CCN(C)CC2O)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C23H30N2O4/c1-16(2)29-22-13-18(19-11-12-25(3)14-21(19)26)9-10-20(22)24-23(27)28-15-17-7-5-4-6-8-17/h4-10,13,16,19,21,26H,11-12,14-15H2,1-3H3,(H,24,27)
InChIKeyPTKPZXDSBWIDIW-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.00
Rot. Bonds6

About benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate

benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate (PubChem CID 86697979) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate
PubChem CID86697979
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Namebenzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate
SMILESCC(C)Oc1cc(C2CCN(C)CC2O)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C23H30N2O4/c1-16(2)29-22-13-18(19-11-12-25(3)14-21(19)26)9-10-20(22)24-23(27)28-15-17-7-5-4-6-8-17/h4-10,13,16,19,21,26H,11-12,14-15H2,1-3H3,(H,24,27)
InChIKeyPTKPZXDSBWIDIW-UHFFFAOYSA-N
XLogP4.00
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2-ethyl-4-(1-methylpyrrolidin-3-yl)phenyl]carbamate
CID 155639450
3-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)benzoic acid
CID 118536103
benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate
CID 118343797
(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 66775278
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate
CID 25223284
benzyl N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]carbamate
CID 53260576
benzyl N-(2-bromophenyl)carbamate
CID 4935706
1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea
CID 72928602
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate?
The IUPAC name of benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate (CID 86697979) is benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate is CC(C)Oc1cc(C2CCN(C)CC2O)ccc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate?
The InChIKey is PTKPZXDSBWIDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16(2)29-22-13-18(19-11-12-25(3)14-21(19)26)9-10-20(22)24-23(27)28-15-17-7-5-4-6-8-17/h4-10,13,16,19,21,26H,11-12,14-15H2,1-3H3,(H,24,27).
What are the key properties of benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate?
benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate has a molecular weight of 398.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-hydroxy-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]carbamate is sourced from PubChem (CID 86697979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).