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

C18H22N4O2 — CID 3223392

IUPACN-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1
InChIInChI=1S/C18H22N4O2/c1-13-9-10-19-18(20-13)22-11-3-4-14(12-22)17(23)21-15-5-7-16(24-2)8-6-15/h5-10,14H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyVOLWRDGIMZCJAJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.65
Rot. Bonds4

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

N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3223392) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3223392
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1
InChIInChI=1S/C18H22N4O2/c1-13-9-10-19-18(20-13)22-11-3-4-14(12-22)17(23)21-15-5-7-16(24-2)8-6-15/h5-10,14H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyVOLWRDGIMZCJAJ-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
(2S)-2-{[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648341
(2S)-2-{[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648342
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
2-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005989
N-[4-(2-pyrimidinyloxy)phenyl]acetamide
CID 1487531
1-N'-[4-(2-anilinopyrimidin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 90644957
N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2g)
CID 91937745

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3223392) is N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is VOLWRDGIMZCJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-9-10-19-18(20-13)22-11-3-4-14(12-22)17(23)21-15-5-7-16(24-2)8-6-15/h5-10,14H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.65, 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-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3223392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).