N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

C22H36N6O2 — CID 53165691

IUPACN-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(c2cncnc2N2CCCCC2)CC1
InChIInChI=1S/C22H36N6O2/c29-22(24-7-4-8-26-13-15-30-16-14-26)19-5-11-27(12-6-19)20-17-23-18-25-21(20)28-9-2-1-3-10-28/h17-19H,1-16H2,(H,24,29)
InChIKeyMUVOXVBLRMSXQA-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.52
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165691) has the molecular formula C22H36N6O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165691
Molecular FormulaC22H36N6O2
Molecular Weight416.57 g/mol
Exact Mass416.29
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(c2cncnc2N2CCCCC2)CC1
InChIInChI=1S/C22H36N6O2/c29-22(24-7-4-8-26-13-15-30-16-14-26)19-5-11-27(12-6-19)20-17-23-18-25-21(20)28-9-2-1-3-10-28/h17-19H,1-16H2,(H,24,29)
InChIKeyMUVOXVBLRMSXQA-UHFFFAOYSA-N
XLogP1.52
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.52
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 N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165691) is N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CCN(c2cncnc2N2CCCCC2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is MUVOXVBLRMSXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O2/c29-22(24-7-4-8-26-13-15-30-16-14-26)19-5-11-27(12-6-19)20-17-23-18-25-21(20)28-9-2-1-3-10-28/h17-19H,1-16H2,(H,24,29).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).