1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C19H32N6O2 — CID 53165542

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C19H32N6O2/c1-23(2)18-17(14-20-15-22-18)25-8-4-16(5-9-25)19(26)21-6-3-7-24-10-12-27-13-11-24/h14-16H,3-13H2,1-2H3,(H,21,26)
InChIKeyHKGZHYPQDVOAGF-UHFFFAOYSA-N
MW376.51 g/mol
LogP0.60
Rot. Bonds7

About 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 53165542) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID53165542
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C19H32N6O2/c1-23(2)18-17(14-20-15-22-18)25-8-4-16(5-9-25)19(26)21-6-3-7-24-10-12-27-13-11-24/h14-16H,3-13H2,1-2H3,(H,21,26)
InChIKeyHKGZHYPQDVOAGF-UHFFFAOYSA-N
XLogP0.60
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.60
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-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 53165542) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is CN(C)c1ncncc1N1CCC(C(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is HKGZHYPQDVOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-23(2)18-17(14-20-15-22-18)25-8-4-16(5-9-25)19(26)21-6-3-7-24-10-12-27-13-11-24/h14-16H,3-13H2,1-2H3,(H,21,26).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 376.51 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53165542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).