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

C21H22N4O — CID 56820315

IUPAC2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)C3CC(c4ccccc4)C3)CC2)c1
InChIInChI=1S/C21H22N4O/c22-15-16-6-7-23-20(12-16)24-8-10-25(11-9-24)21(26)19-13-18(14-19)17-4-2-1-3-5-17/h1-7,12,18-19H,8-11,13-14H2
InChIKeyIXOAMULQQKQXMM-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.80
Rot. Bonds3

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

2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 56820315) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID56820315
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)C3CC(c4ccccc4)C3)CC2)c1
InChIInChI=1S/C21H22N4O/c22-15-16-6-7-23-20(12-16)24-8-10-25(11-9-24)21(26)19-13-18(14-19)17-4-2-1-3-5-17/h1-7,12,18-19H,8-11,13-14H2
InChIKeyIXOAMULQQKQXMM-UHFFFAOYSA-N
XLogP2.80
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56820268
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95588243
2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95573247
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 95402787
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38261707
2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile;hydrochloride
CID 119112261
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 167778065
4-(4-cyano-2-pyridinyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperazine-1-carboxamide
CID 94125172
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172891744

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 56820315) is 2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(C(=O)C3CC(c4ccccc4)C3)CC2)c1.
What is the InChIKey of 2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is IXOAMULQQKQXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-15-16-6-7-23-20(12-16)24-8-10-25(11-9-24)21(26)19-13-18(14-19)17-4-2-1-3-5-17/h1-7,12,18-19H,8-11,13-14H2.
What are the key properties of 2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 346.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 56820315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).