1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide

C26H28N4O2 — CID 110084101

IUPAC1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N4O2/c1-2-29-25(32)26(11-13-30(14-12-26)24(31)21-8-4-3-5-9-21)16-20-7-6-10-22(15-20)23-17-27-19-28-18-23/h3-10,15,17-19H,2,11-14,16H2,1H3,(H,29,32)
InChIKeyBHUNAFGJMXDGLK-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.74
Rot. Bonds6

About 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide

1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110084101) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110084101
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N4O2/c1-2-29-25(32)26(11-13-30(14-12-26)24(31)21-8-4-3-5-9-21)16-20-7-6-10-22(15-20)23-17-27-19-28-18-23/h3-10,15,17-19H,2,11-14,16H2,1H3,(H,29,32)
InChIKeyBHUNAFGJMXDGLK-UHFFFAOYSA-N
XLogP3.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110229783
N-ethyl-1-(5-methylthiophene-3-carbonyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982942
(3S)-1-(4-aminobenzoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592401
N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084047
N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083881
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592501
1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 155982857
N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805848
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941
(3S)-1-(2,2-dimethylpropanoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592173
N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 125015982
1-(cyclohexanecarbonyl)-N-ethyl-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805756

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide (CID 110084101) is 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide is CCNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BHUNAFGJMXDGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-2-29-25(32)26(11-13-30(14-12-26)24(31)21-8-4-3-5-9-21)16-20-7-6-10-22(15-20)23-17-27-19-28-18-23/h3-10,15,17-19H,2,11-14,16H2,1H3,(H,29,32).
What are the key properties of 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?
1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110084101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).