4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide

C23H27N3O — CID 90467346

IUPAC4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(C(N)=O)cc1
InChIInChI=1S/C23H27N3O/c1-15-13-16(2)22-19(10-11-25-22)20(15)14-26-12-4-3-5-21(26)17-6-8-18(9-7-17)23(24)27/h6-11,13,21,25H,3-5,12,14H2,1-2H3,(H2,24,27)
InChIKeyHVCYKNQNKTXZHC-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.61
Rot. Bonds4

About 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide

4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide (PubChem CID 90467346) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide.

Molecular Properties

Compound Name4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
PubChem CID90467346
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(C(N)=O)cc1
InChIInChI=1S/C23H27N3O/c1-15-13-16(2)22-19(10-11-25-22)20(15)14-26-12-4-3-5-21(26)17-6-8-18(9-7-17)23(24)27/h6-11,13,21,25H,3-5,12,14H2,1-2H3,(H2,24,27)
InChIKeyHVCYKNQNKTXZHC-UHFFFAOYSA-N
XLogP4.61
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
The IUPAC name of 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide (CID 90467346) is 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide.
What is the SMILES notation for 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
The canonical SMILES for 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide is Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
The InChIKey is HVCYKNQNKTXZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-15-13-16(2)22-19(10-11-25-22)20(15)14-26-12-4-3-5-21(26)17-6-8-18(9-7-17)23(24)27/h6-11,13,21,25H,3-5,12,14H2,1-2H3,(H2,24,27).
What are the key properties of 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide is sourced from PubChem (CID 90467346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).