6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile

C13H16N4O2 — CID 153358087

IUPAC6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CCO)CC2)nc1
InChIInChI=1S/C13H16N4O2/c14-9-11-1-2-12(15-10-11)16-4-6-17(7-5-16)13(19)3-8-18/h1-2,10,18H,3-8H2
InChIKeyAJZBGQGPHCIYSZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.02
Rot. Bonds3

About 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 153358087) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID153358087
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CCO)CC2)nc1
InChIInChI=1S/C13H16N4O2/c14-9-11-1-2-12(15-10-11)16-4-6-17(7-5-16)13(19)3-8-18/h1-2,10,18H,3-8H2
InChIKeyAJZBGQGPHCIYSZ-UHFFFAOYSA-N
XLogP-0.02
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817691
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 134051143
6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817689
6-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56817678
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
6-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 94985371
6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110420719
6-[6-hydroxy-4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 74241541
6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110420694
6-[4-(4-thiophen-2-ylbutanoyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 138809073
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 153358087) is 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)CCO)CC2)nc1.
What is the InChIKey of 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is AJZBGQGPHCIYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-9-11-1-2-12(15-10-11)16-4-6-17(7-5-16)13(19)3-8-18/h1-2,10,18H,3-8H2.
What are the key properties of 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 153358087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).