(3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol

C27H41N3O — CID 134578456

IUPAC(3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CC[C@@H](O)C4)c4ccccc43)CC2)CC1
InChIInChI=1S/C27H41N3O/c1-20(2)21-7-9-23(10-8-21)29-15-11-24(12-16-29)30-18-22(17-28-14-13-25(31)19-28)26-5-3-4-6-27(26)30/h3-6,18,20-21,23-25,31H,7-17,19H2,1-2H3/t21?,23?,25-/m1/s1
InChIKeyUVJCSVMAXSVVJZ-LQOCYXTFSA-N
MW423.65 g/mol
LogP5.06
Rot. Bonds5

About (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 134578456) has the molecular formula C27H41N3O and a molecular weight of 423.65 g/mol. Its IUPAC name is (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol
PubChem CID134578456
Molecular FormulaC27H41N3O
Molecular Weight423.65 g/mol
Exact Mass423.32
IUPAC Name(3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CC[C@@H](O)C4)c4ccccc43)CC2)CC1
InChIInChI=1S/C27H41N3O/c1-20(2)21-7-9-23(10-8-21)29-15-11-24(12-16-29)30-18-22(17-28-14-13-25(31)19-28)26-5-3-4-6-27(26)30/h3-6,18,20-21,23-25,31H,7-17,19H2,1-2H3/t21?,23?,25-/m1/s1
InChIKeyUVJCSVMAXSVVJZ-LQOCYXTFSA-N
XLogP5.06
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.65
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol (CID 134578456) is (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol is CC(C)C1CCC(N2CCC(n3cc(CN4CC[C@@H](O)C4)c4ccccc43)CC2)CC1.
What is the InChIKey of (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is UVJCSVMAXSVVJZ-LQOCYXTFSA-N. The full InChI is InChI=1S/C27H41N3O/c1-20(2)21-7-9-23(10-8-21)29-15-11-24(12-16-29)30-18-22(17-28-14-13-25(31)19-28)26-5-3-4-6-27(26)30/h3-6,18,20-21,23-25,31H,7-17,19H2,1-2H3/t21?,23?,25-/m1/s1.
What are the key properties of (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 423.65 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 134578456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).