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

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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).