propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate

C26H33N3O2 — CID 134329410

IUPACpropan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)OC(C)C)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H33N3O2/c1-16(2)24-22-15-20(19-9-12-29(13-10-19)26(30)31-17(3)4)6-7-23(22)28-25(24)21-8-11-27-18(5)14-21/h6-8,11,14-17,19,28H,9-10,12-13H2,1-5H3
InChIKeyMVVPCJKRADAZLV-UHFFFAOYSA-N
MW419.57 g/mol
LogP6.39
Rot. Bonds4

About propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate

propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate (PubChem CID 134329410) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
PubChem CID134329410
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Namepropan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)OC(C)C)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H33N3O2/c1-16(2)24-22-15-20(19-9-12-29(13-10-19)26(30)31-17(3)4)6-7-23(22)28-25(24)21-8-11-27-18(5)14-21/h6-8,11,14-17,19,28H,9-10,12-13H2,1-5H3
InChIKeyMVVPCJKRADAZLV-UHFFFAOYSA-N
XLogP6.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate (CID 134329410) is propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)OC(C)C)CC4)cc3c2C(C)C)ccn1.
What is the InChIKey of propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
The InChIKey is MVVPCJKRADAZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-16(2)24-22-15-20(19-9-12-29(13-10-19)26(30)31-17(3)4)6-7-23(22)28-25(24)21-8-11-27-18(5)14-21/h6-8,11,14-17,19,28H,9-10,12-13H2,1-5H3.
What are the key properties of propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate has a molecular weight of 419.57 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 134329410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).