N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C21H28N4O2 — CID 46431901

IUPACN-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)C2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C21H28N4O2/c1-16(2)27-19-7-5-17(6-8-19)9-10-24-21(26)18-4-3-13-25(15-18)20-14-22-11-12-23-20/h5-8,11-12,14,16,18H,3-4,9-10,13,15H2,1-2H3,(H,24,26)
InChIKeyHAYOECLHEYDFRO-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 46431901) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID46431901
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)C2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C21H28N4O2/c1-16(2)27-19-7-5-17(6-8-19)9-10-24-21(26)18-4-3-13-25(15-18)20-14-22-11-12-23-20/h5-8,11-12,14,16,18H,3-4,9-10,13,15H2,1-2H3,(H,24,26)
InChIKeyHAYOECLHEYDFRO-UHFFFAOYSA-N
XLogP2.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882182
(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950392
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950718
N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 119549612
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 46431901) is N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CC(C)Oc1ccc(CCNC(=O)C2CCCN(c3cnccn3)C2)cc1.
What is the InChIKey of N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is HAYOECLHEYDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16(2)27-19-7-5-17(6-8-19)9-10-24-21(26)18-4-3-13-25(15-18)20-14-22-11-12-23-20/h5-8,11-12,14,16,18H,3-4,9-10,13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46431901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).