1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone

C32H36N4O — CID 3008926

IUPAC1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C32H36N4O/c1-32(18-22-34(23-19-32)31(37)29-24-33-30-15-9-8-14-28(29)30)35-20-16-27(17-21-35)36(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-15,24,27,33H,16-23H2,1H3
InChIKeyZDSRCGGVWAFNMR-UHFFFAOYSA-N
MW492.67 g/mol
LogP6.47
Rot. Bonds5

About 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone

1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 3008926) has the molecular formula C32H36N4O and a molecular weight of 492.67 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID3008926
Molecular FormulaC32H36N4O
Molecular Weight492.67 g/mol
Exact Mass492.29
IUPAC Name1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C32H36N4O/c1-32(18-22-34(23-19-32)31(37)29-24-33-30-15-9-8-14-28(29)30)35-20-16-27(17-21-35)36(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-15,24,27,33H,16-23H2,1H3
InChIKeyZDSRCGGVWAFNMR-UHFFFAOYSA-N
XLogP6.47
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone (CID 3008926) is 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone is CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is ZDSRCGGVWAFNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O/c1-32(18-22-34(23-19-32)31(37)29-24-33-30-15-9-8-14-28(29)30)35-20-16-27(17-21-35)36(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-15,24,27,33H,16-23H2,1H3.
What are the key properties of 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone?
1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 492.67 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3008926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).