[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone

C25H23N3O2 — CID 24646101

IUPAC[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
SMILESO=C(c1cccnc1Oc1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H23N3O2/c29-25(21-10-6-14-26-24(21)30-19-7-2-1-3-8-19)28-15-12-18(13-16-28)22-17-27-23-11-5-4-9-20(22)23/h1-11,14,17-18,27H,12-13,15-16H2
InChIKeySIGZNQSKGDXUJD-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.38
Rot. Bonds4

About [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone (PubChem CID 24646101) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
PubChem CID24646101
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
SMILESO=C(c1cccnc1Oc1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H23N3O2/c29-25(21-10-6-14-26-24(21)30-19-7-2-1-3-8-19)28-15-12-18(13-16-28)22-17-27-23-11-5-4-9-20(22)23/h1-11,14,17-18,27H,12-13,15-16H2
InChIKeySIGZNQSKGDXUJD-UHFFFAOYSA-N
XLogP5.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
(2-ethoxy-6-methyl-3-pyridinyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 119047088
(2-hydroxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84580016
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone (CID 24646101) is [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone is O=C(c1cccnc1Oc1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
The InChIKey is SIGZNQSKGDXUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-25(21-10-6-14-26-24(21)30-19-7-2-1-3-8-19)28-15-12-18(13-16-28)22-17-27-23-11-5-4-9-20(22)23/h1-11,14,17-18,27H,12-13,15-16H2.
What are the key properties of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone has a molecular weight of 397.48 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone is sourced from PubChem (CID 24646101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).