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2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

C32H45N5O2 — CID 134329857

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCOCCN1CCN(C(=O)CN2CCC(c3ccc4[nH]c(-c5cc(C)nc(C)c5)c(C(C)C)c4c3)CC2)CC1
InChIInChI=1S/C32H45N5O2/c1-22(2)31-28-20-26(6-7-29(28)34-32(31)27-18-23(3)33-24(4)19-27)25-8-10-36(11-9-25)21-30(38)37-14-12-35(13-15-37)16-17-39-5/h6-7,18-20,22,25,34H,8-17,21H2,1-5H3
InChIKeyNIDBPHKWDNELSZ-UHFFFAOYSA-N
MW531.75 g/mol
LogP4.94
Rot. Bonds8

About 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (PubChem CID 134329857) has the molecular formula C32H45N5O2 and a molecular weight of 531.75 g/mol. Its IUPAC name is 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
PubChem CID134329857
Molecular FormulaC32H45N5O2
Molecular Weight531.75 g/mol
Exact Mass531.36
IUPAC Name2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCOCCN1CCN(C(=O)CN2CCC(c3ccc4[nH]c(-c5cc(C)nc(C)c5)c(C(C)C)c4c3)CC2)CC1
InChIInChI=1S/C32H45N5O2/c1-22(2)31-28-20-26(6-7-29(28)34-32(31)27-18-23(3)33-24(4)19-27)25-8-10-36(11-9-25)21-30(38)37-14-12-35(13-15-37)16-17-39-5/h6-7,18-20,22,25,34H,8-17,21H2,1-5H3
InChIKeyNIDBPHKWDNELSZ-UHFFFAOYSA-N
XLogP4.94
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.75
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (CID 134329857) is 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is COCCN1CCN(C(=O)CN2CCC(c3ccc4[nH]c(-c5cc(C)nc(C)c5)c(C(C)C)c4c3)CC2)CC1.
What is the InChIKey of 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is NIDBPHKWDNELSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O2/c1-22(2)31-28-20-26(6-7-29(28)34-32(31)27-18-23(3)33-24(4)19-27)25-8-10-36(11-9-25)21-30(38)37-14-12-35(13-15-37)16-17-39-5/h6-7,18-20,22,25,34H,8-17,21H2,1-5H3.
What are the key properties of 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 531.75 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134329857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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