1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol

C26H35N3O — CID 134330318

IUPAC1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCC(c2ccc3[nH]c(-c4ccnc(C)c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H35N3O/c1-5-22(30)16-29-12-9-19(10-13-29)20-6-7-24-23(15-20)25(17(2)3)26(28-24)21-8-11-27-18(4)14-21/h6-8,11,14-15,17,19,22,28,30H,5,9-10,12-13,16H2,1-4H3
InChIKeyRUTFVFBMPUZOLZ-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.61
Rot. Bonds6

About 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol

1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol (PubChem CID 134330318) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol
PubChem CID134330318
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCC(c2ccc3[nH]c(-c4ccnc(C)c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H35N3O/c1-5-22(30)16-29-12-9-19(10-13-29)20-6-7-24-23(15-20)25(17(2)3)26(28-24)21-8-11-27-18(4)14-21/h6-8,11,14-15,17,19,22,28,30H,5,9-10,12-13,16H2,1-4H3
InChIKeyRUTFVFBMPUZOLZ-UHFFFAOYSA-N
XLogP5.61
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol?
The IUPAC name of 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol (CID 134330318) is 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol is CCC(O)CN1CCC(c2ccc3[nH]c(-c4ccnc(C)c4)c(C(C)C)c3c2)CC1.
What is the InChIKey of 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol?
The InChIKey is RUTFVFBMPUZOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-5-22(30)16-29-12-9-19(10-13-29)20-6-7-24-23(15-20)25(17(2)3)26(28-24)21-8-11-27-18(4)14-21/h6-8,11,14-15,17,19,22,28,30H,5,9-10,12-13,16H2,1-4H3.
What are the key properties of 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol?
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol has a molecular weight of 405.59 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 134330318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).