N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C13H20N4O2 — CID 645990

IUPACN-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H20N4O2/c1-19-9-7-14-12(18)11-4-2-8-17(10-11)13-15-5-3-6-16-13/h3,5-6,11H,2,4,7-10H2,1H3,(H,14,18)
InChIKeyBVWAVHGDPWDADZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.46
Rot. Bonds5

About N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 645990) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID645990
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H20N4O2/c1-19-9-7-14-12(18)11-4-2-8-17(10-11)13-15-5-3-6-16-13/h3,5-6,11H,2,4,7-10H2,1H3,(H,14,18)
InChIKeyBVWAVHGDPWDADZ-UHFFFAOYSA-N
XLogP0.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.46
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 N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 645990) is N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is COCCNC(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is BVWAVHGDPWDADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-9-7-14-12(18)11-4-2-8-17(10-11)13-15-5-3-6-16-13/h3,5-6,11H,2,4,7-10H2,1H3,(H,14,18).
What are the key properties of N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 645990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).