(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C20H26N4O2 — CID 51950392

IUPAC(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C20H26N4O2/c1-15-5-3-6-16(2)19(15)26-12-10-23-20(25)17-7-4-11-24(14-17)18-13-21-8-9-22-18/h3,5-6,8-9,13,17H,4,7,10-12,14H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyDFTAGBLDXKQRJG-KRWDZBQOSA-N
MW354.45 g/mol
LogP2.51
Rot. Bonds6

About (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 51950392) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID51950392
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C20H26N4O2/c1-15-5-3-6-16(2)19(15)26-12-10-23-20(25)17-7-4-11-24(14-17)18-13-21-8-9-22-18/h3,5-6,8-9,13,17H,4,7,10-12,14H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyDFTAGBLDXKQRJG-KRWDZBQOSA-N
XLogP2.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901
(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 37392327
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 51950392) is (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is Cc1cccc(C)c1OCCNC(=O)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is DFTAGBLDXKQRJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-5-3-6-16(2)19(15)26-12-10-23-20(25)17-7-4-11-24(14-17)18-13-21-8-9-22-18/h3,5-6,8-9,13,17H,4,7,10-12,14H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51950392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).