6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile

C20H22N4O2 — CID 110420719

IUPAC6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccccc1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C20H22N4O2/c1-26-18-5-3-2-4-17(18)7-9-20(25)24-12-10-23(11-13-24)19-8-6-16(14-21)15-22-19/h2-6,8,15H,7,9-13H2,1H3
InChIKeyIETBATOYZSUWMK-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.24
Rot. Bonds5

About 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 110420719) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID110420719
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccccc1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C20H22N4O2/c1-26-18-5-3-2-4-17(18)7-9-20(25)24-12-10-23(11-13-24)19-8-6-16(14-21)15-22-19/h2-6,8,15H,7,9-13H2,1H3
InChIKeyIETBATOYZSUWMK-UHFFFAOYSA-N
XLogP2.24
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 94985371
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337
3-(2,3-dimethoxyphenyl)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 17477979
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
6-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56817678
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 136537775
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
6-[6-hydroxy-4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 74241541

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 110420719) is 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile is COc1ccccc1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is IETBATOYZSUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-18-5-3-2-4-17(18)7-9-20(25)24-12-10-23(11-13-24)19-8-6-16(14-21)15-22-19/h2-6,8,15H,7,9-13H2,1H3.
What are the key properties of 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 110420719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).