N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide

C18H22N4O2 — CID 175662336

IUPACN-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C3CCCNC3)nc2C)cc1
InChIInChI=1S/C18H22N4O2/c1-12-16(11-20-17(21-12)13-4-3-9-19-10-13)18(23)22-14-5-7-15(24-2)8-6-14/h5-8,11,13,19H,3-4,9-10H2,1-2H3,(H,22,23)
InChIKeyJOIOLBHSTFSRFX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds4

About N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide

N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide (PubChem CID 175662336) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide
PubChem CID175662336
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C3CCCNC3)nc2C)cc1
InChIInChI=1S/C18H22N4O2/c1-12-16(11-20-17(21-12)13-4-3-9-19-10-13)18(23)22-14-5-7-15(24-2)8-6-14/h5-8,11,13,19H,3-4,9-10H2,1-2H3,(H,22,23)
InChIKeyJOIOLBHSTFSRFX-UHFFFAOYSA-N
XLogP2.51
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640157
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110088656
N-(4-methoxyphenyl)-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250655
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639767
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960829
N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084827
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960830
2-[(3S)-1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640165
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92640166
2-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636697
(4-methyl-2-piperidin-3-ylpyrimidin-5-yl)-(1,2-oxazolidin-2-yl)methanone
CID 155982967

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide (CID 175662336) is N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(C3CCCNC3)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide?
The InChIKey is JOIOLBHSTFSRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-16(11-20-17(21-12)13-4-3-9-19-10-13)18(23)22-14-5-7-15(24-2)8-6-14/h5-8,11,13,19H,3-4,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 175662336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).