1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

C19H31N5O — CID 75436314

IUPAC1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCc1cnc(N2CCC(C(=O)NCCCN3CCCC3)CC2)nc1C
InChIInChI=1S/C19H31N5O/c1-15-14-21-19(22-16(15)2)24-12-6-17(7-13-24)18(25)20-8-5-11-23-9-3-4-10-23/h14,17H,3-13H2,1-2H3,(H,20,25)
InChIKeyUJTPJNMUAJMUQY-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.91
Rot. Bonds6

About 1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 75436314) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID75436314
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCc1cnc(N2CCC(C(=O)NCCCN3CCCC3)CC2)nc1C
InChIInChI=1S/C19H31N5O/c1-15-14-21-19(22-16(15)2)24-12-6-17(7-13-24)18(25)20-8-5-11-23-9-3-4-10-23/h14,17H,3-13H2,1-2H3,(H,20,25)
InChIKeyUJTPJNMUAJMUQY-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (CID 75436314) is 1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is Cc1cnc(N2CCC(C(=O)NCCCN3CCCC3)CC2)nc1C.
What is the InChIKey of 1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is UJTPJNMUAJMUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-14-21-19(22-16(15)2)24-12-6-17(7-13-24)18(25)20-8-5-11-23-9-3-4-10-23/h14,17H,3-13H2,1-2H3,(H,20,25).
What are the key properties of 1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 75436314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).