N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide

C21H26N4O3 — CID 167471645

IUPACN-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide
SMILESC=C1NC(=O)CCC1N1Cc2c(CNC(=O)C3CCNCC3)cccc2C1=O
InChIInChI=1S/C21H26N4O3/c1-13-18(5-6-19(26)24-13)25-12-17-15(3-2-4-16(17)21(25)28)11-23-20(27)14-7-9-22-10-8-14/h2-4,14,18,22H,1,5-12H2,(H,23,27)(H,24,26)
InChIKeyQCGQMRKYKLPAAX-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.05
Rot. Bonds4

About N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide

N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 167471645) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID167471645
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide
SMILESC=C1NC(=O)CCC1N1Cc2c(CNC(=O)C3CCNCC3)cccc2C1=O
InChIInChI=1S/C21H26N4O3/c1-13-18(5-6-19(26)24-13)25-12-17-15(3-2-4-16(17)21(25)28)11-23-20(27)14-7-9-22-10-8-14/h2-4,14,18,22H,1,5-12H2,(H,23,27)(H,24,26)
InChIKeyQCGQMRKYKLPAAX-UHFFFAOYSA-N
XLogP1.05
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

3-[7-[[[5-(hydroxymethyl)azepan-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719809
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[(azepan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716749
3-[7-[[(3,3-difluoropiperidin-4-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725478
3-[3-oxo-7-[(2-piperazin-1-ylethylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738612
3-[3-oxo-7-[[(1-piperidin-4-ylpiperidin-4-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716275
3-[3-oxo-7-[[(5-phenylazepan-4-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718185
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
3-[7-[[[(4S,6S)-6-hydroxyazepan-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726194
3-[3-oxo-7-[[(2,2,2-trifluoro-1-piperidin-4-ylethyl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736184
3-[7-[[(5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740982

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide (CID 167471645) is N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide is C=C1NC(=O)CCC1N1Cc2c(CNC(=O)C3CCNCC3)cccc2C1=O.
What is the InChIKey of N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is QCGQMRKYKLPAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-18(5-6-19(26)24-13)25-12-17-15(3-2-4-16(17)21(25)28)11-23-20(27)14-7-9-22-10-8-14/h2-4,14,18,22H,1,5-12H2,(H,23,27)(H,24,26).
What are the key properties of N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide?
N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 167471645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).