[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C19H19N3O — CID 122190657

IUPAC[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H19N3O/c23-19(18-7-3-4-10-20-18)22-11-8-14(9-12-22)16-13-21-17-6-2-1-5-15(16)17/h1-7,10,13-14,21H,8-9,11-12H2
InChIKeyKPXICDGTKFFRLB-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.58
Rot. Bonds2

About [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 122190657) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID122190657
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H19N3O/c23-19(18-7-3-4-10-20-18)22-11-8-14(9-12-22)16-13-21-17-6-2-1-5-15(16)17/h1-7,10,13-14,21H,8-9,11-12H2
InChIKeyKPXICDGTKFFRLB-UHFFFAOYSA-N
XLogP3.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 24646101
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 141269853
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 86839792
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 23113298
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
(2-hydroxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84580016
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 122190657) is [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is KPXICDGTKFFRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(18-7-3-4-10-20-18)22-11-8-14(9-12-22)16-13-21-17-6-2-1-5-15(16)17/h1-7,10,13-14,21H,8-9,11-12H2.
What are the key properties of [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 305.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 122190657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).