N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C19H24N4O — CID 46596626

IUPACN-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(c2cnccn2)C1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(16-6-3-2-4-7-16)12-22-19(24)17-8-5-11-23(14-17)18-13-20-9-10-21-18/h2-4,6-7,9-10,13,15,17H,5,8,11-12,14H2,1H3,(H,22,24)
InChIKeyAGEOAEQUGSFHSR-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.61
Rot. Bonds5

About N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 46596626) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID46596626
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(c2cnccn2)C1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(16-6-3-2-4-7-16)12-22-19(24)17-8-5-11-23(14-17)18-13-20-9-10-21-18/h2-4,6-7,9-10,13,15,17H,5,8,11-12,14H2,1H3,(H,22,24)
InChIKeyAGEOAEQUGSFHSR-UHFFFAOYSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37024045
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934569
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
(3R)-N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 38504692
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 46596626) is N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is CC(CNC(=O)C1CCCN(c2cnccn2)C1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is AGEOAEQUGSFHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15(16-6-3-2-4-7-16)12-22-19(24)17-8-5-11-23(14-17)18-13-20-9-10-21-18/h2-4,6-7,9-10,13,15,17H,5,8,11-12,14H2,1H3,(H,22,24).
What are the key properties of N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46596626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).