N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C15H22N4O2 — CID 648367

IUPACN-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H22N4O2/c20-14(18-10-13-5-2-9-21-13)12-4-1-8-19(11-12)15-16-6-3-7-17-15/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,18,20)
InChIKeyRJGWWPXUFUHQRJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.99
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 648367) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID648367
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H22N4O2/c20-14(18-10-13-5-2-9-21-13)12-4-1-8-19(11-12)15-16-6-3-7-17-15/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,18,20)
InChIKeyRJGWWPXUFUHQRJ-UHFFFAOYSA-N
XLogP0.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 648367) is N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCC1CCCO1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is RJGWWPXUFUHQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(18-10-13-5-2-9-21-13)12-4-1-8-19(11-12)15-16-6-3-7-17-15/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 648367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).