N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide

C25H26N4O2 — CID 129360850

IUPACN-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C25H26N4O2/c1-26-24(31)25(11-15-29(16-12-25)23(30)22-18-27-13-14-28-22)17-20-9-5-6-10-21(20)19-7-3-2-4-8-19/h2-10,13-14,18H,11-12,15-17H2,1H3,(H,26,31)
InChIKeySQWIJPMPMYDFJD-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.35
Rot. Bonds5

About N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide

N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 129360850) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
PubChem CID129360850
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C25H26N4O2/c1-26-24(31)25(11-15-29(16-12-25)23(30)22-18-27-13-14-28-22)17-20-9-5-6-10-21(20)19-7-3-2-4-8-19/h2-10,13-14,18H,11-12,15-17H2,1H3,(H,26,31)
InChIKeySQWIJPMPMYDFJD-UHFFFAOYSA-N
XLogP3.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 92620703
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609749
(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610151
N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083596
N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805527
1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083413
(2S)-N-ethyl-2-[(2-phenylphenyl)methyl]-4-(pyrazine-2-carbonyl)morpholine-2-carboxamide
CID 92592708
N-methyl-1-(pyridin-3-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083488
N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083487
(3S)-N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609735
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609672

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide (CID 129360850) is N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide is CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is SQWIJPMPMYDFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-26-24(31)25(11-15-29(16-12-25)23(30)22-18-27-13-14-28-22)17-20-9-5-6-10-21(20)19-7-3-2-4-8-19/h2-10,13-14,18H,11-12,15-17H2,1H3,(H,26,31).
What are the key properties of N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide?
N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 129360850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).