N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C25H28N4O2 — CID 53078059

IUPACN-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-3-31-22-10-8-21(9-11-22)27-25(30)20-13-16-29(17-14-20)23-12-15-26-24(28-23)19-6-4-18(2)5-7-19/h4-12,15,20H,3,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyGZOBXGHNAWIEGX-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.71
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53078059) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53078059
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-3-31-22-10-8-21(9-11-22)27-25(30)20-13-16-29(17-14-20)23-12-15-26-24(28-23)19-6-4-18(2)5-7-19/h4-12,15,20H,3,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyGZOBXGHNAWIEGX-UHFFFAOYSA-N
XLogP4.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53078051
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 53078017
N-butan-2-yl-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53006937
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 89464821
2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 46360822
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
ethyl 4-[[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90519480
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367968

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53078059) is N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is GZOBXGHNAWIEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-31-22-10-8-21(9-11-22)27-25(30)20-13-16-29(17-14-20)23-12-15-26-24(28-23)19-6-4-18(2)5-7-19/h4-12,15,20H,3,13-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53078059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).