1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

C21H32N6O3 — CID 53165752

IUPAC1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C21H32N6O3/c28-19-3-1-7-26(19)8-2-6-23-21(29)17-4-9-25(10-5-17)18-15-22-16-24-20(18)27-11-13-30-14-12-27/h15-17H,1-14H2,(H,23,29)
InChIKeyDYFCZYVQKFZNSR-UHFFFAOYSA-N
MW416.53 g/mol
LogP0.66
Rot. Bonds7

About 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 53165752) has the molecular formula C21H32N6O3 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID53165752
Molecular FormulaC21H32N6O3
Molecular Weight416.53 g/mol
Exact Mass416.25
IUPAC Name1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C21H32N6O3/c28-19-3-1-7-26(19)8-2-6-23-21(29)17-4-9-25(10-5-17)18-15-22-16-24-20(18)27-11-13-30-14-12-27/h15-17H,1-14H2,(H,23,29)
InChIKeyDYFCZYVQKFZNSR-UHFFFAOYSA-N
XLogP0.66
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (CID 53165752) is 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is O=C(NCCCN1CCCC1=O)C1CCN(c2cncnc2N2CCOCC2)CC1.
What is the InChIKey of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is DYFCZYVQKFZNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O3/c28-19-3-1-7-26(19)8-2-6-23-21(29)17-4-9-25(10-5-17)18-15-22-16-24-20(18)27-11-13-30-14-12-27/h15-17H,1-14H2,(H,23,29).
What are the key properties of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 53165752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).