2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

C22H27N3O — CID 134330130

IUPAC2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCOc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H27N3O/c1-14(2)21-18-12-16(15-6-9-23-10-7-15)4-5-19(18)25-22(21)17-8-11-24-20(13-17)26-3/h4-5,8,11-15,23,25H,6-7,9-10H2,1-3H3
InChIKeyKAGSPINYGPNPCN-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.83
Rot. Bonds4

About 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134330130) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134330130
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCOc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H27N3O/c1-14(2)21-18-12-16(15-6-9-23-10-7-15)4-5-19(18)25-22(21)17-8-11-24-20(13-17)26-3/h4-5,8,11-15,23,25H,6-7,9-10H2,1-3H3
InChIKeyKAGSPINYGPNPCN-UHFFFAOYSA-N
XLogP4.83
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134330130) is 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is COc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is KAGSPINYGPNPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-14(2)21-18-12-16(15-6-9-23-10-7-15)4-5-19(18)25-22(21)17-8-11-24-20(13-17)26-3/h4-5,8,11-15,23,25H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 349.48 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134330130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).