2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde

C18H21ClN2O3 — CID 170325245

IUPAC2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde
SMILESO=CCC1CCN(c2ccc([C@@H]3CCC(=O)NC3=O)cc2Cl)CC1
InChIInChI=1S/C18H21ClN2O3/c19-15-11-13(14-2-4-17(23)20-18(14)24)1-3-16(15)21-8-5-12(6-9-21)7-10-22/h1,3,10-12,14H,2,4-9H2,(H,20,23,24)/t14-/m0/s1
InChIKeyPESFELMSPWGNAQ-AWEZNQCLSA-N
MW348.83 g/mol
LogP2.67
Rot. Bonds4

About 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde

2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde (PubChem CID 170325245) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde
PubChem CID170325245
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde
SMILESO=CCC1CCN(c2ccc([C@@H]3CCC(=O)NC3=O)cc2Cl)CC1
InChIInChI=1S/C18H21ClN2O3/c19-15-11-13(14-2-4-17(23)20-18(14)24)1-3-16(15)21-8-5-12(6-9-21)7-10-22/h1,3,10-12,14H,2,4-9H2,(H,20,23,24)/t14-/m0/s1
InChIKeyPESFELMSPWGNAQ-AWEZNQCLSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
CID 166947439
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde
CID 168874545
3-[4-[4-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403
3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463189
3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
CID 177028079
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 170952357
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
CID 171098619
2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]acetaldehyde
CID 146599012
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
3-[5-[4-(2-methylpropyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 178116295

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde?
The IUPAC name of 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde (CID 170325245) is 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde is O=CCC1CCN(c2ccc([C@@H]3CCC(=O)NC3=O)cc2Cl)CC1.
What is the InChIKey of 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde?
The InChIKey is PESFELMSPWGNAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c19-15-11-13(14-2-4-17(23)20-18(14)24)1-3-16(15)21-8-5-12(6-9-21)7-10-22/h1,3,10-12,14H,2,4-9H2,(H,20,23,24)/t14-/m0/s1.
What are the key properties of 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde?
2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde has a molecular weight of 348.83 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 170325245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).