N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C19H24N4O2 — CID 51091928

IUPACN-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1cc(CNC(=O)C2CCCN(c3ncccn3)C2)ccc1C
InChIInChI=1S/C19H24N4O2/c1-14-6-7-15(11-17(14)25-2)12-22-18(24)16-5-3-10-23(13-16)19-20-8-4-9-21-19/h4,6-9,11,16H,3,5,10,12-13H2,1-2H3,(H,22,24)
InChIKeyIZMGUWWRMBIQGO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds5

About N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 51091928) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID51091928
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1cc(CNC(=O)C2CCCN(c3ncccn3)C2)ccc1C
InChIInChI=1S/C19H24N4O2/c1-14-6-7-15(11-17(14)25-2)12-22-18(24)16-5-3-10-23(13-16)19-20-8-4-9-21-19/h4,6-9,11,16H,3,5,10,12-13H2,1-2H3,(H,22,24)
InChIKeyIZMGUWWRMBIQGO-UHFFFAOYSA-N
XLogP2.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 51091928) is N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is COc1cc(CNC(=O)C2CCCN(c3ncccn3)C2)ccc1C.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is IZMGUWWRMBIQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-6-7-15(11-17(14)25-2)12-22-18(24)16-5-3-10-23(13-16)19-20-8-4-9-21-19/h4,6-9,11,16H,3,5,10,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51091928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).