3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione

C24H35N5O4 — CID 170004132

IUPAC3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione
SMILESCOc1ccc(N2CCN(CCC(=O)N3CCC(N)CC3)CC2)cc1C1CCC(=O)NC1=O
InChIInChI=1S/C24H35N5O4/c1-33-21-4-2-18(16-20(21)19-3-5-22(30)26-24(19)32)28-14-12-27(13-15-28)9-8-23(31)29-10-6-17(25)7-11-29/h2,4,16-17,19H,3,5-15,25H2,1H3,(H,26,30,32)
InChIKeyYRSOLIBSDRWGFO-UHFFFAOYSA-N
MW457.58 g/mol
LogP0.68
Rot. Bonds6

About 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione

3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione (PubChem CID 170004132) has the molecular formula C24H35N5O4 and a molecular weight of 457.58 g/mol. Its IUPAC name is 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione
PubChem CID170004132
Molecular FormulaC24H35N5O4
Molecular Weight457.58 g/mol
Exact Mass457.27
IUPAC Name3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione
SMILESCOc1ccc(N2CCN(CCC(=O)N3CCC(N)CC3)CC2)cc1C1CCC(=O)NC1=O
InChIInChI=1S/C24H35N5O4/c1-33-21-4-2-18(16-20(21)19-3-5-22(30)26-24(19)32)28-14-12-27(13-15-28)9-8-23(31)29-10-6-17(25)7-11-29/h2,4,16-17,19H,3,5-15,25H2,1H3,(H,26,30,32)
InChIKeyYRSOLIBSDRWGFO-UHFFFAOYSA-N
XLogP0.68
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
CID 167463656
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463482
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]pyrazol-1-yl]piperidine-2,6-dione
CID 167463550
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161715
3-[4-[4-[2-[4-[1-(4-amino-5-methoxy-2-methylphenyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 167027144
3-amino-N-[(3S)-1-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]pyrrolidin-3-yl]-2-fluoro-5-methoxybenzamide
CID 175199942
tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 170737838
tert-butyl 3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]propanoate
CID 170770822
tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 154670046
1-(4-aminopiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 39311838
1-(4-acetylpiperazin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018165

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione (CID 170004132) is 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione is COc1ccc(N2CCN(CCC(=O)N3CCC(N)CC3)CC2)cc1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione?
The InChIKey is YRSOLIBSDRWGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4/c1-33-21-4-2-18(16-20(21)19-3-5-22(30)26-24(19)32)28-14-12-27(13-15-28)9-8-23(31)29-10-6-17(25)7-11-29/h2,4,16-17,19H,3,5-15,25H2,1H3,(H,26,30,32).
What are the key properties of 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione?
3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione has a molecular weight of 457.58 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione is sourced from PubChem (CID 170004132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).