N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide

C26H28N4O2 — CID 110232465

IUPACN,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C26H28N4O2/c1-29(2)25(32)26(13-6-16-30(19-26)24(31)23-18-27-14-15-28-23)17-20-9-11-22(12-10-20)21-7-4-3-5-8-21/h3-5,7-12,14-15,18H,6,13,16-17,19H2,1-2H3
InChIKeyFVIXNFJERWHKHB-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.70
Rot. Bonds5

About N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide

N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 110232465) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
PubChem CID110232465
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C26H28N4O2/c1-29(2)25(32)26(13-6-16-30(19-26)24(31)23-18-27-14-15-28-23)17-20-9-11-22(12-10-20)21-7-4-3-5-8-21/h3-5,7-12,14-15,18H,6,13,16-17,19H2,1-2H3
InChIKeyFVIXNFJERWHKHB-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605039
(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92604986
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
(3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579676
N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231370
(3S)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579964
(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605015
(3S)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605016

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (CID 110232465) is N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is FVIXNFJERWHKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-29(2)25(32)26(13-6-16-30(19-26)24(31)23-18-27-14-15-28-23)17-20-9-11-22(12-10-20)21-7-4-3-5-8-21/h3-5,7-12,14-15,18H,6,13,16-17,19H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110232465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).