1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one

C27H36N4O — CID 137464689

IUPAC1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one
SMILESCC(C)c1c(-c2cc(N3CCCCC3)c(=O)n(C)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C27H36N4O/c1-18(2)25-22-15-20(19-9-11-28-12-10-19)7-8-23(22)29-26(25)21-16-24(27(32)30(3)17-21)31-13-5-4-6-14-31/h7-8,15-19,28-29H,4-6,9-14H2,1-3H3
InChIKeyGXHGQMLEJBCEDD-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.11
Rot. Bonds4

About 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one

1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one (PubChem CID 137464689) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one
PubChem CID137464689
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one
SMILESCC(C)c1c(-c2cc(N3CCCCC3)c(=O)n(C)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C27H36N4O/c1-18(2)25-22-15-20(19-9-11-28-12-10-19)7-8-23(22)29-26(25)21-16-24(27(32)30(3)17-21)31-13-5-4-6-14-31/h7-8,15-19,28-29H,4-6,9-14H2,1-3H3
InChIKeyGXHGQMLEJBCEDD-UHFFFAOYSA-N
XLogP5.11
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-prop-1-en-2-ylpyridin-2-one
CID 137464469
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
1-methyl-5-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1H-indol-2-yl]-3-pyrimidin-5-ylpyridin-2-one
CID 137464342
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654
3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one
CID 142594476
3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one
CID 137464364
2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one
CID 137464299
2-[4-[2-[5-(methoxymethyl)-1-methyl-6-oxo-3-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464472
3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464327
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3-(methoxymethyl)-1-methylpyridin-2-one
CID 137464339
3-chloro-1,4-dimethyl-5-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464442
1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]-3-pyridin-3-ylpyridin-2-one
CID 137464604

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one?
The IUPAC name of 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one (CID 137464689) is 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one is CC(C)c1c(-c2cc(N3CCCCC3)c(=O)n(C)c2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one?
The InChIKey is GXHGQMLEJBCEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-18(2)25-22-15-20(19-9-11-28-12-10-19)7-8-23(22)29-26(25)21-16-24(27(32)30(3)17-21)31-13-5-4-6-14-31/h7-8,15-19,28-29H,4-6,9-14H2,1-3H3.
What are the key properties of 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one?
1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one has a molecular weight of 432.61 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one is sourced from PubChem (CID 137464689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).