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

C21H22N4O — CID 56820268

IUPAC6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)C3CC(c4ccccc4)C3)CC2)nc1
InChIInChI=1S/C21H22N4O/c22-14-16-6-7-20(23-15-16)24-8-10-25(11-9-24)21(26)19-12-18(13-19)17-4-2-1-3-5-17/h1-7,15,18-19H,8-13H2
InChIKeyUQUWOAVEDOLFSJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.80
Rot. Bonds3

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

6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 56820268) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID56820268
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)C3CC(c4ccccc4)C3)CC2)nc1
InChIInChI=1S/C21H22N4O/c22-14-16-6-7-20(23-15-16)24-8-10-25(11-9-24)21(26)19-12-18(13-19)17-4-2-1-3-5-17/h1-7,15,18-19H,8-13H2
InChIKeyUQUWOAVEDOLFSJ-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

2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 56820315
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645072
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 95590816
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
CID 138049082
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 56820268) is 6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)C3CC(c4ccccc4)C3)CC2)nc1.
What is the InChIKey of 6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is UQUWOAVEDOLFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-14-16-6-7-20(23-15-16)24-8-10-25(11-9-24)21(26)19-12-18(13-19)17-4-2-1-3-5-17/h1-7,15,18-19H,8-13H2.
What are the key properties of 6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-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 6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56820268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).