N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide

C23H24N4O2 — CID 53107326

IUPACN-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C23H24N4O2/c1-29-21-9-7-20(8-10-21)26-22(28)18-11-13-27(14-12-18)23-24-15-19(16-25-23)17-5-3-2-4-6-17/h2-10,15-16,18H,11-14H2,1H3,(H,26,28)
InChIKeyUVYZQGDPUCYCMB-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.01
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53107326) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53107326
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C23H24N4O2/c1-29-21-9-7-20(8-10-21)26-22(28)18-11-13-27(14-12-18)23-24-15-19(16-25-23)17-5-3-2-4-6-17/h2-10,15-16,18H,11-14H2,1H3,(H,26,28)
InChIKeyUVYZQGDPUCYCMB-UHFFFAOYSA-N
XLogP4.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
(3R)-N-(3,5-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085904
(3S)-N-(3,5-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085905
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 53106979
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107179
(3R)-N-(2,4-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085918
N-(3-methoxyphenyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146185
1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53107338
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53107326) is N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is UVYZQGDPUCYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-21-9-7-20(8-10-21)26-22(28)18-11-13-27(14-12-18)23-24-15-19(16-25-23)17-5-3-2-4-6-17/h2-10,15-16,18H,11-14H2,1H3,(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53107326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).