2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile

C19H20N4O2 — CID 110349906

IUPAC2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
SMILESCOc1cccc(C(C#N)N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H20N4O2/c1-25-17-6-2-4-15(12-17)18(13-20)22-8-10-23(11-9-22)19(24)16-5-3-7-21-14-16/h2-7,12,14,18H,8-11H2,1H3
InChIKeyWCWYNWUKCFEBQL-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile

2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile (PubChem CID 110349906) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
PubChem CID110349906
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
SMILESCOc1cccc(C(C#N)N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H20N4O2/c1-25-17-6-2-4-15(12-17)18(13-20)22-8-10-23(11-9-22)19(24)16-5-3-7-21-14-16/h2-7,12,14,18H,8-11H2,1H3
InChIKeyWCWYNWUKCFEBQL-UHFFFAOYSA-N
XLogP2.11
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)acetonitrile
CID 110349882
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)acetonitrile
CID 110349868
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride
CID 90664393
2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile
CID 110349895
[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 19865890
2-(2-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349545
2-(3-bromophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110291770
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
CID 63337295
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
2-(4-methoxyphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349956

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile (CID 110349906) is 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile is COc1cccc(C(C#N)N2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile?
The InChIKey is WCWYNWUKCFEBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-17-6-2-4-15(12-17)18(13-20)22-8-10-23(11-9-22)19(24)16-5-3-7-21-14-16/h2-7,12,14,18H,8-11H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile?
2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile has a molecular weight of 336.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 110349906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).