(5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone

C30H37FN4O2 — CID 70863417

IUPAC(5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone
SMILESCc1cccc2c1NCC2[C@H]1CCN(CCC2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)CC1O
InChIInChI=1S/C30H37FN4O2/c1-19-3-2-4-24-25(17-32-29(19)24)23-10-12-34(18-28(23)36)11-7-20-8-13-35(14-9-20)30(37)27-16-21-15-22(31)5-6-26(21)33-27/h2-6,15-16,20,23,25,28,32-33,36H,7-14,17-18H2,1H3/t23-,25?,28?/m1/s1
InChIKeyDMKLJMDXVQKHGL-PWKHNDMNSA-N
MW504.65 g/mol
LogP4.75
Rot. Bonds5

About (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone

(5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone (PubChem CID 70863417) has the molecular formula C30H37FN4O2 and a molecular weight of 504.65 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone
PubChem CID70863417
Molecular FormulaC30H37FN4O2
Molecular Weight504.65 g/mol
Exact Mass504.29
IUPAC Name(5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone
SMILESCc1cccc2c1NCC2[C@H]1CCN(CCC2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)CC1O
InChIInChI=1S/C30H37FN4O2/c1-19-3-2-4-24-25(17-32-29(19)24)23-10-12-34(18-28(23)36)11-7-20-8-13-35(14-9-20)30(37)27-16-21-15-22(31)5-6-26(21)33-27/h2-6,15-16,20,23,25,28,32-33,36H,7-14,17-18H2,1H3/t23-,25?,28?/m1/s1
InChIKeyDMKLJMDXVQKHGL-PWKHNDMNSA-N
XLogP4.75
TPSA71.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.65
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone (CID 70863417) is (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone is Cc1cccc2c1NCC2[C@H]1CCN(CCC2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)CC1O.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone?
The InChIKey is DMKLJMDXVQKHGL-PWKHNDMNSA-N. The full InChI is InChI=1S/C30H37FN4O2/c1-19-3-2-4-24-25(17-32-29(19)24)23-10-12-34(18-28(23)36)11-7-20-8-13-35(14-9-20)30(37)27-16-21-15-22(31)5-6-26(21)33-27/h2-6,15-16,20,23,25,28,32-33,36H,7-14,17-18H2,1H3/t23-,25?,28?/m1/s1.
What are the key properties of (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone has a molecular weight of 504.65 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[4-[2-[(4R)-3-hydroxy-4-(7-methyl-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70863417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).