N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C27H31N3O — CID 129454899

IUPACN-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C27H31N3O/c1-2-28-26(31)27(15-18-30(19-16-27)21-24-13-8-9-17-29-24)20-23-12-6-7-14-25(23)22-10-4-3-5-11-22/h3-14,17H,2,15-16,18-21H2,1H3,(H,28,31)
InChIKeyGLAPTNOPICMXFN-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.71
Rot. Bonds7

About N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 129454899) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID129454899
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC NameN-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C27H31N3O/c1-2-28-26(31)27(15-18-30(19-16-27)21-24-13-8-9-17-29-24)20-23-12-6-7-14-25(23)22-10-4-3-5-11-22/h3-14,17H,2,15-16,18-21H2,1H3,(H,28,31)
InChIKeyGLAPTNOPICMXFN-UHFFFAOYSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-phenylphenyl)methyl]-N-propyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 129455813
N-propyl-1-(pyridin-2-ylmethyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083615
N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110231994
1-(3,3-dimethylbutanoyl)-N-ethyl-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129459434
N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 136854647
1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083413
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448
N-prop-2-enyl-1-(pyridin-2-ylmethyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231726
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
N-methyl-1-(pyridin-3-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083488
1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805544
1-(2-cyclopentylacetyl)-N-ethyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620728

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 129454899) is N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GLAPTNOPICMXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c1-2-28-26(31)27(15-18-30(19-16-27)21-24-13-8-9-17-29-24)20-23-12-6-7-14-25(23)22-10-4-3-5-11-22/h3-14,17H,2,15-16,18-21H2,1H3,(H,28,31).
What are the key properties of N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 129454899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).