1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione

C22H39N7O3 — CID 149253274

IUPAC1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione
SMILESCN1C(=O)C(N2CCCCC2)(N2CCNCC2)C(N2CCNCC2)(N2CCOCC2)C1=O
InChIInChI=1S/C22H39N7O3/c1-25-19(30)21(26-9-3-2-4-10-26,27-11-5-23-6-12-27)22(20(25)31,28-13-7-24-8-14-28)29-15-17-32-18-16-29/h23-24H,2-18H2,1H3
InChIKeyPWKNIOADRCMQNE-UHFFFAOYSA-N
MW449.60 g/mol
LogP-1.99
Rot. Bonds4

About 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione

1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione (PubChem CID 149253274) has the molecular formula C22H39N7O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione
PubChem CID149253274
Molecular FormulaC22H39N7O3
Molecular Weight449.60 g/mol
Exact Mass449.31
IUPAC Name1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione
SMILESCN1C(=O)C(N2CCCCC2)(N2CCNCC2)C(N2CCNCC2)(N2CCOCC2)C1=O
InChIInChI=1S/C22H39N7O3/c1-25-19(30)21(26-9-3-2-4-10-26,27-11-5-23-6-12-27)22(20(25)31,28-13-7-24-8-14-28)29-15-17-32-18-16-29/h23-24H,2-18H2,1H3
InChIKeyPWKNIOADRCMQNE-UHFFFAOYSA-N
XLogP-1.99
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-(Dimethylamino)piperidin-2-yl]-3-[[2-(dimethylamino)-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]-2-morpholin-4-ylpiperazin-2-yl]piperazin-2-one
CID 91391199
1-(4-Morpholin-4-yl-2-oxo-4-piperazin-1-yl-3-piperidin-1-yl-1-pyrrolidin-1-ylpyrrolidin-3-yl)piperidin-2-one
CID 141147656
5-[2-[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 75526377
(5R)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 97965521
(5R)-5-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 97965523
(5S)-5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 98890419
(5S)-5-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 98890421

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione (CID 149253274) is 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione is CN1C(=O)C(N2CCCCC2)(N2CCNCC2)C(N2CCNCC2)(N2CCOCC2)C1=O.
What is the InChIKey of 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is PWKNIOADRCMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N7O3/c1-25-19(30)21(26-9-3-2-4-10-26,27-11-5-23-6-12-27)22(20(25)31,28-13-7-24-8-14-28)29-15-17-32-18-16-29/h23-24H,2-18H2,1H3.
What are the key properties of 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione?
1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 449.60 g/mol, XLogP of -1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-morpholin-4-yl-3,4-di(piperazin-1-yl)-4-piperidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 149253274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).