1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole

C30H30FN5 — CID 10195611

IUPAC1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole
SMILESCn1cnc(-c2ccc3c(c2)c(C2CCN(CCc4ccccc4)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C30H30FN5/c1-34-21-32-30(33-34)24-7-12-29-27(19-24)28(20-36(29)26-10-8-25(31)9-11-26)23-14-17-35(18-15-23)16-13-22-5-3-2-4-6-22/h2-12,19-21,23H,13-18H2,1H3
InChIKeyCDNYNZHJAVUDFP-UHFFFAOYSA-N
MW479.60 g/mol
LogP5.99
Rot. Bonds6

About 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole

1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole (PubChem CID 10195611) has the molecular formula C30H30FN5 and a molecular weight of 479.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole
PubChem CID10195611
Molecular FormulaC30H30FN5
Molecular Weight479.60 g/mol
Exact Mass479.25
IUPAC Name1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole
SMILESCn1cnc(-c2ccc3c(c2)c(C2CCN(CCc4ccccc4)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C30H30FN5/c1-34-21-32-30(33-34)24-7-12-29-27(19-24)28(20-36(29)26-10-8-25(31)9-11-26)23-14-17-35(18-15-23)16-13-22-5-3-2-4-6-22/h2-12,19-21,23H,13-18H2,1H3
InChIKeyCDNYNZHJAVUDFP-UHFFFAOYSA-N
XLogP5.99
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.60
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole?
The IUPAC name of 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole (CID 10195611) is 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole is Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCc4ccccc4)CC2)cn3-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole?
The InChIKey is CDNYNZHJAVUDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5/c1-34-21-32-30(33-34)24-7-12-29-27(19-24)28(20-36(29)26-10-8-25(31)9-11-26)23-14-17-35(18-15-23)16-13-22-5-3-2-4-6-22/h2-12,19-21,23H,13-18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole?
1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole has a molecular weight of 479.60 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]indole is sourced from PubChem (CID 10195611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).