[4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone

C25H28N4O2 — CID 122190663

IUPAC[4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C25H28N4O2/c30-24(19-9-14-29(15-10-19)25(31)20-4-3-11-26-16-20)28-12-7-18(8-13-28)22-17-27-23-6-2-1-5-21(22)23/h1-6,11,16-19,27H,7-10,12-15H2
InChIKeyXGKASTFVKXWFII-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.82
Rot. Bonds3

About [4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone

[4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 122190663) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is [4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone
PubChem CID122190663
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name[4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C25H28N4O2/c30-24(19-9-14-29(15-10-19)25(31)20-4-3-11-26-16-20)28-12-7-18(8-13-28)22-17-27-23-6-2-1-5-21(22)23/h1-6,11,16-19,27H,7-10,12-15H2
InChIKeyXGKASTFVKXWFII-UHFFFAOYSA-N
XLogP3.82
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 33625
LY-517717
CID 9939865
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CID 2192542
Indoramin hydrochloride
CID 38102
5-Fluoro CUMYL-PICA
CID 117650397
Rhetsinine
CID 99652
4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
Slv-310
CID 9888211
Tryptamide
CID 65768
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
Olinone
CID 91668531
2-[2-(1H-indol-3-yl)ethyl]-1H-Isoindole-1,3(2H)-dione
CID 288577

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone (CID 122190663) is [4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone is O=C(c1cccnc1)N1CCC(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1.
What is the InChIKey of [4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone?
The InChIKey is XGKASTFVKXWFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(19-9-14-29(15-10-19)25(31)20-4-3-11-26-16-20)28-12-7-18(8-13-28)22-17-27-23-6-2-1-5-21(22)23/h1-6,11,16-19,27H,7-10,12-15H2.
What are the key properties of [4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone?
[4-(1H-indol-3-yl)piperidin-1-yl]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 3.82, 3 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]-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 122190663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).