1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

C29H38N4O2 — CID 155142300

IUPAC1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCCN(C(=O)CN5CCOCC5)C4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H38N4O2/c1-19(2)28-25-16-22(7-8-26(25)31-29(28)24-14-20(3)30-21(4)15-24)23-6-5-9-33(17-23)27(34)18-32-10-12-35-13-11-32/h7-8,14-16,19,23,31H,5-6,9-13,17-18H2,1-4H3
InChIKeyRORKECYYFUNJGF-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.01
Rot. Bonds5

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

1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 155142300) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID155142300
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC Name1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCCN(C(=O)CN5CCOCC5)C4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H38N4O2/c1-19(2)28-25-16-22(7-8-26(25)31-29(28)24-14-20(3)30-21(4)15-24)23-6-5-9-33(17-23)27(34)18-32-10-12-35-13-11-32/h7-8,14-16,19,23,31H,5-6,9-13,17-18H2,1-4H3
InChIKeyRORKECYYFUNJGF-UHFFFAOYSA-N
XLogP5.01
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134329526
2-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 154639719
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134330087
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
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
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxybutyl)acetamide
CID 134329458
3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 134329418
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxypropyl)-N-methylacetamide
CID 134329692
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329487
2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329893
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(1-methylcyclopropyl)methylamino]ethanone
CID 134329917

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 155142300) is 1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is Cc1cc(-c2[nH]c3ccc(C4CCCN(C(=O)CN5CCOCC5)C4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is RORKECYYFUNJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-19(2)28-25-16-22(7-8-26(25)31-29(28)24-14-20(3)30-21(4)15-24)23-6-5-9-33(17-23)27(34)18-32-10-12-35-13-11-32/h7-8,14-16,19,23,31H,5-6,9-13,17-18H2,1-4H3.
What are the key properties of 1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 474.65 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 155142300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).