2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride

C16H22ClN5O — CID 119112261

IUPAC2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(N2CCN(C(=O)C3(N)CCCC3)CC2)c1
InChIInChI=1S/C16H21N5O.ClH/c17-12-13-3-6-19-14(11-13)20-7-9-21(10-8-20)15(22)16(18)4-1-2-5-16;/h3,6,11H,1-2,4-5,7-10,18H2;1H
InChIKeyWJDRDZMDWUDAPI-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.30
Rot. Bonds2

About 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride

2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride (PubChem CID 119112261) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride
PubChem CID119112261
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(N2CCN(C(=O)C3(N)CCCC3)CC2)c1
InChIInChI=1S/C16H21N5O.ClH/c17-12-13-3-6-19-14(11-13)20-7-9-21(10-8-20)15(22)16(18)4-1-2-5-16;/h3,6,11H,1-2,4-5,7-10,18H2;1H
InChIKeyWJDRDZMDWUDAPI-UHFFFAOYSA-N
XLogP1.30
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
tert-butyl 4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 75365577
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 56820315
1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125819
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 56816116
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 167778065
2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38263518
4-(4-cyano-2-pyridinyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperazine-1-carboxamide
CID 94125172

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride (CID 119112261) is 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride is Cl.N#Cc1ccnc(N2CCN(C(=O)C3(N)CCCC3)CC2)c1.
What is the InChIKey of 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride?
The InChIKey is WJDRDZMDWUDAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c17-12-13-3-6-19-14(11-13)20-7-9-21(10-8-20)15(22)16(18)4-1-2-5-16;/h3,6,11H,1-2,4-5,7-10,18H2;1H.
What are the key properties of 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride?
2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 119112261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).