1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone

C27H32N4O2 — CID 166328150

IUPAC1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone
SMILESCc1cncc(CC(=O)N2CCCC(C3CCCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)c1
InChIInChI=1S/C27H32N4O2/c1-19-12-20(16-28-15-19)13-26(32)30-10-2-4-23(17-30)24-5-3-11-31(18-24)27(33)22-6-7-25-21(14-22)8-9-29-25/h6-9,12,14-16,23-24,29H,2-5,10-11,13,17-18H2,1H3
InChIKeyMFIYZCXLVLVACF-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.20
Rot. Bonds4

About 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone

1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone (PubChem CID 166328150) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone
PubChem CID166328150
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone
SMILESCc1cncc(CC(=O)N2CCCC(C3CCCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)c1
InChIInChI=1S/C27H32N4O2/c1-19-12-20(16-28-15-19)13-26(32)30-10-2-4-23(17-30)24-5-3-11-31(18-24)27(33)22-6-7-25-21(14-22)8-9-29-25/h6-9,12,14-16,23-24,29H,2-5,10-11,13,17-18H2,1H3
InChIKeyMFIYZCXLVLVACF-UHFFFAOYSA-N
XLogP4.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone with MolForge

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Related Compounds

2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 167823356
1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 166328159
2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone
CID 166328151
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122260397
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56740506
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122259448
1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 45171645
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
(3R)-N-(4-acetamidophenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 41087933

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone (CID 166328150) is 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone is Cc1cncc(CC(=O)N2CCCC(C3CCCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)c1.
What is the InChIKey of 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is MFIYZCXLVLVACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-12-20(16-28-15-19)13-26(32)30-10-2-4-23(17-30)24-5-3-11-31(18-24)27(33)22-6-7-25-21(14-22)8-9-29-25/h6-9,12,14-16,23-24,29H,2-5,10-11,13,17-18H2,1H3.
What are the key properties of 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone?
1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 444.58 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 166328150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).