N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C21H28N4O2 — CID 78852719

IUPACN-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)C1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C21H28N4O2/c1-4-24(15-18-8-6-5-7-16(18)2)20(26)17-10-13-25(14-11-17)21-22-12-9-19(23-21)27-3/h5-9,12,17H,4,10-11,13-15H2,1-3H3
InChIKeyQHGZAORFIVHCED-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 78852719) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID78852719
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)C1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C21H28N4O2/c1-4-24(15-18-8-6-5-7-16(18)2)20(26)17-10-13-25(14-11-17)21-22-12-9-19(23-21)27-3/h5-9,12,17H,4,10-11,13-15H2,1-3H3
InChIKeyQHGZAORFIVHCED-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 46989665
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78852400
1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 78852537
1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 78892410
1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 78890379
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133290040
1-(4-methoxypyrimidin-2-yl)-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830016
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
(2S)-1-[1-(4-methoxypyrimidin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125147498

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 78852719) is N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is CCN(Cc1ccccc1C)C(=O)C1CCN(c2nccc(OC)n2)CC1.
What is the InChIKey of N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QHGZAORFIVHCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-24(15-18-8-6-5-7-16(18)2)20(26)17-10-13-25(14-11-17)21-22-12-9-19(23-21)27-3/h5-9,12,17H,4,10-11,13-15H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 78852719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).