2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

C22H26N2O3 — CID 134006212

IUPAC2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCC(C(O)c3ccccc3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H26N2O3/c1-14-19-17(8-5-9-18(19)25)23-20(14)22(27)24-12-10-16(11-13-24)21(26)15-6-3-2-4-7-15/h2-4,6-7,16,21,23,26H,5,8-13H2,1H3
InChIKeyVDDRKHVVKAWBGG-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.43
Rot. Bonds3

About 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 134006212) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID134006212
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCC(C(O)c3ccccc3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H26N2O3/c1-14-19-17(8-5-9-18(19)25)23-20(14)22(27)24-12-10-16(11-13-24)21(26)15-6-3-2-4-7-15/h2-4,6-7,16,21,23,26H,5,8-13H2,1H3
InChIKeyVDDRKHVVKAWBGG-UHFFFAOYSA-N
XLogP3.43
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (CID 134006212) is 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is Cc1c(C(=O)N2CCC(C(O)c3ccccc3)CC2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is VDDRKHVVKAWBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-19-17(8-5-9-18(19)25)23-20(14)22(27)24-12-10-16(11-13-24)21(26)15-6-3-2-4-7-15/h2-4,6-7,16,21,23,26H,5,8-13H2,1H3.
What are the key properties of 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 366.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 134006212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).