N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C19H24N4O2 — CID 3223408

IUPACN-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(c3nccc(C)n3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-9-10-20-19(22-14)23-11-3-4-16(13-23)18(24)21-12-15-5-7-17(25-2)8-6-15/h5-10,16H,3-4,11-13H2,1-2H3,(H,21,24)
InChIKeyIIMVFGLNVLXFMQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3223408) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3223408
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(c3nccc(C)n3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-9-10-20-19(22-14)23-11-3-4-16(13-23)18(24)21-12-15-5-7-17(25-2)8-6-15/h5-10,16H,3-4,11-13H2,1-2H3,(H,21,24)
InChIKeyIIMVFGLNVLXFMQ-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-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3223408) is N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCCN(c3nccc(C)n3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is IIMVFGLNVLXFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-9-10-20-19(22-14)23-11-3-4-16(13-23)18(24)21-12-15-5-7-17(25-2)8-6-15/h5-10,16H,3-4,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-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-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3223408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).