1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile

C22H24N4O3 — CID 175657135

IUPAC1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCOc1ccc(Oc2nccnc2C2CCCN(C(=O)C3(C#N)CCC3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-17-5-7-18(8-6-17)29-20-19(24-11-12-25-20)16-4-2-13-26(14-16)21(27)22(15-23)9-3-10-22/h5-8,11-12,16H,2-4,9-10,13-14H2,1H3
InChIKeyNAYZNVYGIMIQIG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.68
Rot. Bonds5

About 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile

1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 175657135) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID175657135
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCOc1ccc(Oc2nccnc2C2CCCN(C(=O)C3(C#N)CCC3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-17-5-7-18(8-6-17)29-20-19(24-11-12-25-20)16-4-2-13-26(14-16)21(27)22(15-23)9-3-10-22/h5-8,11-12,16H,2-4,9-10,13-14H2,1H3
InChIKeyNAYZNVYGIMIQIG-UHFFFAOYSA-N
XLogP3.68
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methoxyphenyl)oxan-4-yl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129459227
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823457
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124987464
(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129455687
1-[(3S)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822131
1-[(3R)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822132
2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823413
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823451
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile (CID 175657135) is 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile is COc1ccc(Oc2nccnc2C2CCCN(C(=O)C3(C#N)CCC3)C2)cc1.
What is the InChIKey of 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is NAYZNVYGIMIQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-17-5-7-18(8-6-17)29-20-19(24-11-12-25-20)16-4-2-13-26(14-16)21(27)22(15-23)9-3-10-22/h5-8,11-12,16H,2-4,9-10,13-14H2,1H3.
What are the key properties of 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 175657135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).