ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate

C19H23N3O4 — CID 55748074

IUPACethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N1CCCC(NC(=O)OCC)C1
InChIInChI=1S/C19H23N3O4/c1-3-26-19(25)20-14-7-6-10-21(11-14)17(23)12-22-13(2)15-8-4-5-9-16(15)18(22)24/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,20,25)
InChIKeyRPILQIAQNZQMFC-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.85
Rot. Bonds4

About ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate (PubChem CID 55748074) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate
PubChem CID55748074
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Nameethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N1CCCC(NC(=O)OCC)C1
InChIInChI=1S/C19H23N3O4/c1-3-26-19(25)20-14-7-6-10-21(11-14)17(23)12-22-13(2)15-8-4-5-9-16(15)18(22)24/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,20,25)
InChIKeyRPILQIAQNZQMFC-UHFFFAOYSA-N
XLogP1.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate with MolForge

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Related Compounds

(3S)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidine-3-carboxylic acid
CID 119136464
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate
CID 167747837
3-methylidene-2-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]isoindol-1-one
CID 87030569
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl N-[(3R)-1-[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]piperidin-3-yl]carbamate
CID 94140930
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
CID 60963639
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
3-methylidene-2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]isoindol-1-one
CID 16622791
ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
CID 94825031

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate (CID 55748074) is ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate is C=C1c2ccccc2C(=O)N1CC(=O)N1CCCC(NC(=O)OCC)C1.
What is the InChIKey of ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate?
The InChIKey is RPILQIAQNZQMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-26-19(25)20-14-7-6-10-21(11-14)17(23)12-22-13(2)15-8-4-5-9-16(15)18(22)24/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,20,25).
What are the key properties of ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate has a molecular weight of 357.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 55748074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).