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

C22H24ClN3O — CID 90466305

IUPAC4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
SMILESCc1cc(Cl)c(CN2CCCCC2c2ccc(C(N)=O)cc2)c2cc[nH]c12
InChIInChI=1S/C22H24ClN3O/c1-14-12-19(23)18(17-9-10-25-21(14)17)13-26-11-3-2-4-20(26)15-5-7-16(8-6-15)22(24)27/h5-10,12,20,25H,2-4,11,13H2,1H3,(H2,24,27)
InChIKeyVVYYBWFVWGOHGG-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.96
Rot. Bonds4

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

4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide (PubChem CID 90466305) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide.

Molecular Properties

Compound Name4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
PubChem CID90466305
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
SMILESCc1cc(Cl)c(CN2CCCCC2c2ccc(C(N)=O)cc2)c2cc[nH]c12
InChIInChI=1S/C22H24ClN3O/c1-14-12-19(23)18(17-9-10-25-21(14)17)13-26-11-3-2-4-20(26)15-5-7-16(8-6-15)22(24)27/h5-10,12,20,25H,2-4,11,13H2,1H3,(H2,24,27)
InChIKeyVVYYBWFVWGOHGG-UHFFFAOYSA-N
XLogP4.96
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
CID 124673699
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]azepan-2-yl]benzoic acid
CID 90466744
[4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanesulfinate
CID 174789964
2-amino-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 176939626
4-[4-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1,4-oxazecan-5-yl]benzoic acid
CID 174345665
4-[(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-hydroxypiperidin-2-yl]benzoic acid
CID 121362634
2-(difluoromethyl)-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 176842182
4-[(2S,4S)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-methoxypiperidin-2-yl]benzoic acid
CID 90467757
3-(azetidin-1-yl)-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid;ethane
CID 176939697
4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide
CID 176842068
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 166762650
4-[(2R,4R)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158458

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
The IUPAC name of 4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide (CID 90466305) is 4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide.
What is the SMILES notation for 4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
The canonical SMILES for 4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide is Cc1cc(Cl)c(CN2CCCCC2c2ccc(C(N)=O)cc2)c2cc[nH]c12.
What is the InChIKey of 4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
The InChIKey is VVYYBWFVWGOHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-14-12-19(23)18(17-9-10-25-21(14)17)13-26-11-3-2-4-20(26)15-5-7-16(8-6-15)22(24)27/h5-10,12,20,25H,2-4,11,13H2,1H3,(H2,24,27).
What are the key properties of 4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide has a molecular weight of 381.91 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide is sourced from PubChem (CID 90466305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).