2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

C19H20N4O2 — CID 110397273

IUPAC2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(OCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1
InChIInChI=1S/C19H20N4O2/c1-15-4-6-17(7-5-15)25-14-18(24)22-9-11-23(12-10-22)19-16(13-20)3-2-8-21-19/h2-8H,9-12,14H2,1H3
InChIKeyJFAVCOFSKYUUJE-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.99
Rot. Bonds4

About 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 110397273) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID110397273
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(OCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1
InChIInChI=1S/C19H20N4O2/c1-15-4-6-17(7-5-15)25-14-18(24)22-9-11-23(12-10-22)19-16(13-20)3-2-8-21-19/h2-8H,9-12,14H2,1H3
InChIKeyJFAVCOFSKYUUJE-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(3,5-dimethylphenoxy)propanoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86833378
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133283771
4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 78324718
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
2-[4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55494206
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 2707510
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397190
4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide
CID 56545856

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 110397273) is 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1ccc(OCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is JFAVCOFSKYUUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-15-4-6-17(7-5-15)25-14-18(24)22-9-11-23(12-10-22)19-16(13-20)3-2-8-21-19/h2-8H,9-12,14H2,1H3.
What are the key properties of 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 110397273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).