2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile

C18H18N4O2 — CID 95588243

IUPAC2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)c1
InChIInChI=1S/C18H18N4O2/c19-12-13-3-4-20-17(10-13)21-5-7-22(8-6-21)18(23)15-11-14(15)16-2-1-9-24-16/h1-4,9-10,14-15H,5-8,11H2/t14-,15-/m0/s1
InChIKeyOHVIOLKACGMQOV-GJZGRUSLSA-N
MW322.37 g/mol
LogP2.00
Rot. Bonds3

About 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 95588243) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID95588243
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)c1
InChIInChI=1S/C18H18N4O2/c19-12-13-3-4-20-17(10-13)21-5-7-22(8-6-21)18(23)15-11-14(15)16-2-1-9-24-16/h1-4,9-10,14-15H,5-8,11H2/t14-,15-/m0/s1
InChIKeyOHVIOLKACGMQOV-GJZGRUSLSA-N
XLogP2.00
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95588003
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95588176
2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95573247
2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 56820315
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95147947
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 95588197
1-[4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 95760466
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 95588006
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 95588243) is 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)c1.
What is the InChIKey of 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is OHVIOLKACGMQOV-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-12-13-3-4-20-17(10-13)21-5-7-22(8-6-21)18(23)15-11-14(15)16-2-1-9-24-16/h1-4,9-10,14-15H,5-8,11H2/t14-,15-/m0/s1.
What are the key properties of 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 322.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 95588243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).