N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C17H20N4O2 — CID 3221265

IUPACN-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-5-14(6-8-15)20-16(22)13-4-2-11-21(12-13)17-18-9-3-10-19-17/h3,5-10,13H,2,4,11-12H2,1H3,(H,20,22)
InChIKeyHBYDRUIVLZFKPU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.34
Rot. Bonds4

About N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3221265) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3221265
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-5-14(6-8-15)20-16(22)13-4-2-11-21(12-13)17-18-9-3-10-19-17/h3,5-10,13H,2,4,11-12H2,1H3,(H,20,22)
InChIKeyHBYDRUIVLZFKPU-UHFFFAOYSA-N
XLogP2.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3221265) is N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is HBYDRUIVLZFKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-7-5-14(6-8-15)20-16(22)13-4-2-11-21(12-13)17-18-9-3-10-19-17/h3,5-10,13H,2,4,11-12H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3221265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).