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

C26H28N4O2 — CID 92605059

IUPAC(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C26H28N4O2/c1-29(2)25(32)26(13-8-16-30(19-26)24(31)23-18-27-14-15-28-23)17-21-11-6-7-12-22(21)20-9-4-3-5-10-20/h3-7,9-12,14-15,18H,8,13,16-17,19H2,1-2H3/t26-/m0/s1
InChIKeyMNGFNKDLHIGILQ-SANMLTNESA-N
MW428.54 g/mol
LogP3.70
Rot. Bonds5

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

(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 92605059) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
PubChem CID92605059
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C26H28N4O2/c1-29(2)25(32)26(13-8-16-30(19-26)24(31)23-18-27-14-15-28-23)17-21-11-6-7-12-22(21)20-9-4-3-5-10-20/h3-7,9-12,14-15,18H,8,13,16-17,19H2,1-2H3/t26-/m0/s1
InChIKeyMNGFNKDLHIGILQ-SANMLTNESA-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

N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605039
N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232013
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231805
(3S)-N-prop-2-enyl-1-(pyrazine-2-carbonyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548623
(3S)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92552155
(2R)-N,N-dimethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605758
N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 129360850
N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232679
(3S)-N,N-dimethyl-1-(5-methylthiophene-2-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92559316
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92604986

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (CID 92605059) is (3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is MNGFNKDLHIGILQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N4O2/c1-29(2)25(32)26(13-8-16-30(19-26)24(31)23-18-27-14-15-28-23)17-21-11-6-7-12-22(21)20-9-4-3-5-10-20/h3-7,9-12,14-15,18H,8,13,16-17,19H2,1-2H3/t26-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
(3S)-N,N-dimethyl-3-[(2-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 (3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92605059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).