1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide

C28H34N4O3 — CID 53367115

IUPAC1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)cc1
InChIInChI=1S/C28H34N4O3/c1-3-17-34-24-9-7-22(8-10-24)19-29-28(33)23-13-15-32(16-14-23)26-18-27(31-20-30-26)35-25-11-5-21(4-2)6-12-25/h5-12,18,20,23H,3-4,13-17,19H2,1-2H3,(H,29,33)
InChIKeySRHARUPMYKTGLJ-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.15
Rot. Bonds10

About 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide

1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 53367115) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID53367115
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)cc1
InChIInChI=1S/C28H34N4O3/c1-3-17-34-24-9-7-22(8-10-24)19-29-28(33)23-13-15-32(16-14-23)26-18-27(31-20-30-26)35-25-11-5-21(4-2)6-12-25/h5-12,18,20,23H,3-4,13-17,19H2,1-2H3,(H,29,33)
InChIKeySRHARUPMYKTGLJ-UHFFFAOYSA-N
XLogP5.15
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53107338
4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
1-[6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50845633
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
[1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 50845338
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90600518
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392153
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 46358567
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133492295
1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356426
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46362782

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide (CID 53367115) is 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide is CCCOc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)cc1.
What is the InChIKey of 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SRHARUPMYKTGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-3-17-34-24-9-7-22(8-10-24)19-29-28(33)23-13-15-32(16-14-23)26-18-27(31-20-30-26)35-25-11-5-21(4-2)6-12-25/h5-12,18,20,23H,3-4,13-17,19H2,1-2H3,(H,29,33).
What are the key properties of 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53367115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).