benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate

C24H27Cl2N3O4 — CID 166452014

IUPACbenzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate
SMILESO=C(NN1CCCC(C2CN(Cc3ccc(Cl)c(Cl)c3)C(=O)CO2)C1)OCc1ccccc1
InChIInChI=1S/C24H27Cl2N3O4/c25-20-9-8-18(11-21(20)26)12-28-14-22(32-16-23(28)30)19-7-4-10-29(13-19)27-24(31)33-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11,19,22H,4,7,10,12-16H2,(H,27,31)
InChIKeyLVCUHEOCWCVJIB-UHFFFAOYSA-N
MW492.40 g/mol
LogP4.27
Rot. Bonds6

About benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate

benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate (PubChem CID 166452014) has the molecular formula C24H27Cl2N3O4 and a molecular weight of 492.40 g/mol. Its IUPAC name is benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate
PubChem CID166452014
Molecular FormulaC24H27Cl2N3O4
Molecular Weight492.40 g/mol
Exact Mass491.14
IUPAC Namebenzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate
SMILESO=C(NN1CCCC(C2CN(Cc3ccc(Cl)c(Cl)c3)C(=O)CO2)C1)OCc1ccccc1
InChIInChI=1S/C24H27Cl2N3O4/c25-20-9-8-18(11-21(20)26)12-28-14-22(32-16-23(28)30)19-7-4-10-29(13-19)27-24(31)33-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11,19,22H,4,7,10,12-16H2,(H,27,31)
InChIKeyLVCUHEOCWCVJIB-UHFFFAOYSA-N
XLogP4.27
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-piperidin-1-ylcarbamate
CID 3770567
4-benzyl-6-piperidin-4-ylmorpholin-3-one
CID 115067805
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate
CID 130993442
benzyl 3-[2-bis(phosphanyl)phosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1-[(3,4-dichlorophenyl)methyl]-2-oxoimidazolidine-4-carboxylate
CID 20748899
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147002
(2S)-1-[(3,4-dichlorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 51440407
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 91667012
benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate
CID 70001359
benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11425456
2-(3,4-dichlorophenyl)-N-phenylmethoxyacetamide
CID 8908973

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate?
The IUPAC name of benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate (CID 166452014) is benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate?
The canonical SMILES for benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate is O=C(NN1CCCC(C2CN(Cc3ccc(Cl)c(Cl)c3)C(=O)CO2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate?
The InChIKey is LVCUHEOCWCVJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O4/c25-20-9-8-18(11-21(20)26)12-28-14-22(32-16-23(28)30)19-7-4-10-29(13-19)27-24(31)33-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11,19,22H,4,7,10,12-16H2,(H,27,31).
What are the key properties of benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate?
benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate has a molecular weight of 492.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-[(3,4-dichlorophenyl)methyl]-5-oxomorpholin-2-yl]piperidin-1-yl]carbamate is sourced from PubChem (CID 166452014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).