1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone

C22H21ClN4O — CID 95819827

IUPAC1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C22H21ClN4O/c23-19-5-1-3-17(12-19)20-13-25-14-21(26-20)18-4-2-10-27(15-18)22(28)11-16-6-8-24-9-7-16/h1,3,5-9,12-14,18H,2,4,10-11,15H2/t18-/m1/s1
InChIKeyVRCQTAJPTYAKQT-GOSISDBHSA-N
MW392.89 g/mol
LogP4.14
Rot. Bonds4

About 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone

1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 95819827) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
PubChem CID95819827
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C22H21ClN4O/c23-19-5-1-3-17(12-19)20-13-25-14-21(26-20)18-4-2-10-27(15-18)22(28)11-16-6-8-24-9-7-16/h1,3,5-9,12-14,18H,2,4,10-11,15H2/t18-/m1/s1
InChIKeyVRCQTAJPTYAKQT-GOSISDBHSA-N
XLogP4.14
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819824
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110255306
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95819705
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110255373
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769
[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255383
2-phenyl-1-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819693
2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95819525
2-hydroxy-1-[3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 155899913
N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 110255391
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120354

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone (CID 95819827) is 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is VRCQTAJPTYAKQT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-19-5-1-3-17(12-19)20-13-25-14-21(26-20)18-4-2-10-27(15-18)22(28)11-16-6-8-24-9-7-16/h1,3,5-9,12-14,18H,2,4,10-11,15H2/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone?
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 392.89 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 95819827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).