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

C17H22N4O2 — CID 56817689

IUPAC6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CCC3CCCO3)CC2)nc1
InChIInChI=1S/C17H22N4O2/c18-12-14-3-5-16(19-13-14)20-7-9-21(10-8-20)17(22)6-4-15-2-1-11-23-15/h3,5,13,15H,1-2,4,6-11H2
InChIKeyQDZGWJAVADSZML-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.56
Rot. Bonds4

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

6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 56817689) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID56817689
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CCC3CCCO3)CC2)nc1
InChIInChI=1S/C17H22N4O2/c18-12-14-3-5-16(19-13-14)20-7-9-21(10-8-20)17(22)6-4-15-2-1-11-23-15/h3,5,13,15H,1-2,4,6-11H2
InChIKeyQDZGWJAVADSZML-UHFFFAOYSA-N
XLogP1.56
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 134051143
4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
CID 47069365
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
6-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56817678
6-[4-(4-thiophen-2-ylbutanoyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 138809073
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 124752860
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110420719

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 56817689) is 6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)CCC3CCCO3)CC2)nc1.
What is the InChIKey of 6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is QDZGWJAVADSZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-12-14-3-5-16(19-13-14)20-7-9-21(10-8-20)17(22)6-4-15-2-1-11-23-15/h3,5,13,15H,1-2,4,6-11H2.
What are the key properties of 6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56817689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).