N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide

C15H23N5O2 — CID 53185883

IUPACN-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C15H23N5O2/c1-16-15(21)20-8-5-12(10-20)22-14-9-13(17-11-18-14)19-6-3-2-4-7-19/h9,11-12H,2-8,10H2,1H3,(H,16,21)
InChIKeyIUHNANJFHBBCEX-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.26
Rot. Bonds3

About N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide

N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide (PubChem CID 53185883) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
PubChem CID53185883
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C15H23N5O2/c1-16-15(21)20-8-5-12(10-20)22-14-9-13(17-11-18-14)19-6-3-2-4-7-19/h9,11-12H,2-8,10H2,1H3,(H,16,21)
InChIKeyIUHNANJFHBBCEX-UHFFFAOYSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide (CID 53185883) is N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide is CNC(=O)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1.
What is the InChIKey of N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is IUHNANJFHBBCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-16-15(21)20-8-5-12(10-20)22-14-9-13(17-11-18-14)19-6-3-2-4-7-19/h9,11-12H,2-8,10H2,1H3,(H,16,21).
What are the key properties of N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 53185883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).