1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile

C19H23FN6 — CID 146243595

IUPAC1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile
SMILESN#Cc1cn(C2CC(c3ccc(F)cc3)CC2N2CCCC(N)C2)nn1
InChIInChI=1S/C19H23FN6/c20-15-5-3-13(4-6-15)14-8-18(25-7-1-2-16(22)11-25)19(9-14)26-12-17(10-21)23-24-26/h3-6,12,14,16,18-19H,1-2,7-9,11,22H2
InChIKeyMWGNYVNFYUFWJE-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile

1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile (PubChem CID 146243595) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile
PubChem CID146243595
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile
SMILESN#Cc1cn(C2CC(c3ccc(F)cc3)CC2N2CCCC(N)C2)nn1
InChIInChI=1S/C19H23FN6/c20-15-5-3-13(4-6-15)14-8-18(25-7-1-2-16(22)11-25)19(9-14)26-12-17(10-21)23-24-26/h3-6,12,14,16,18-19H,1-2,7-9,11,22H2
InChIKeyMWGNYVNFYUFWJE-UHFFFAOYSA-N
XLogP2.20
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile?
The IUPAC name of 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile (CID 146243595) is 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile.
What is the SMILES notation for 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile?
The canonical SMILES for 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile is N#Cc1cn(C2CC(c3ccc(F)cc3)CC2N2CCCC(N)C2)nn1.
What is the InChIKey of 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile?
The InChIKey is MWGNYVNFYUFWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c20-15-5-3-13(4-6-15)14-8-18(25-7-1-2-16(22)11-25)19(9-14)26-12-17(10-21)23-24-26/h3-6,12,14,16,18-19H,1-2,7-9,11,22H2.
What are the key properties of 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile?
1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile has a molecular weight of 354.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]triazole-4-carbonitrile is sourced from PubChem (CID 146243595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).