2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid

C12H14N4O2 — CID 43521668

IUPAC2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
SMILESN#Cc1ccnc(N2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C12H14N4O2/c13-8-10-1-2-14-11(7-10)16-5-3-15(4-6-16)9-12(17)18/h1-2,7H,3-6,9H2,(H,17,18)
InChIKeyNOSXPNCWHVRIBT-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.16
Rot. Bonds3

About 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid

2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid (PubChem CID 43521668) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
PubChem CID43521668
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
SMILESN#Cc1ccnc(N2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C12H14N4O2/c13-8-10-1-2-14-11(7-10)16-5-3-15(4-6-16)9-12(17)18/h1-2,7H,3-6,9H2,(H,17,18)
InChIKeyNOSXPNCWHVRIBT-UHFFFAOYSA-N
XLogP0.16
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338
2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36637072
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36637880
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 36632423
N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 36632091
2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 66329032
1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125819
2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95586051
2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36634426
2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid
CID 10317223

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid (CID 43521668) is 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid is N#Cc1ccnc(N2CCN(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid?
The InChIKey is NOSXPNCWHVRIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-8-10-1-2-14-11(7-10)16-5-3-15(4-6-16)9-12(17)18/h1-2,7H,3-6,9H2,(H,17,18).
What are the key properties of 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid?
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).