(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C26H27N5O — CID 37024045

IUPAC(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C26H27N5O/c32-26(20-9-6-14-31(18-20)25-17-27-12-13-28-25)30-15-22(19-7-2-1-3-8-19)23-16-29-24-11-5-4-10-21(23)24/h1-5,7-8,10-13,16-17,20,22,29H,6,9,14-15,18H2,(H,30,32)/t20-,22-/m1/s1
InChIKeyYJMWJPMUWGIRJN-IFMALSPDSA-N
MW425.54 g/mol
LogP4.12
Rot. Bonds6

About (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 37024045) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID37024045
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C26H27N5O/c32-26(20-9-6-14-31(18-20)25-17-27-12-13-28-25)30-15-22(19-7-2-1-3-8-19)23-16-29-24-11-5-4-10-21(23)24/h1-5,7-8,10-13,16-17,20,22,29H,6,9,14-15,18H2,(H,30,32)/t20-,22-/m1/s1
InChIKeyYJMWJPMUWGIRJN-IFMALSPDSA-N
XLogP4.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934569
(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 9425344
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43053644
(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 38504692
N-[2-(1H-indol-3-yl)-2-phenylethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42951611
(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950392
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 37024045) is (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is YJMWJPMUWGIRJN-IFMALSPDSA-N. The full InChI is InChI=1S/C26H27N5O/c32-26(20-9-6-14-31(18-20)25-17-27-12-13-28-25)30-15-22(19-7-2-1-3-8-19)23-16-29-24-11-5-4-10-21(23)24/h1-5,7-8,10-13,16-17,20,22,29H,6,9,14-15,18H2,(H,30,32)/t20-,22-/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 37024045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).