3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide

C23H27N3O — CID 124673699

IUPAC3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCC[C@@H]1c1cccc(C(N)=O)c1
InChIInChI=1S/C23H27N3O/c1-15-12-16(2)22-19(9-10-25-22)20(15)14-26-11-4-3-8-21(26)17-6-5-7-18(13-17)23(24)27/h5-7,9-10,12-13,21,25H,3-4,8,11,14H2,1-2H3,(H2,24,27)/t21-/m1/s1
InChIKeyPRHWUJYHWKQVQL-OAQYLSRUSA-N
MW361.49 g/mol
LogP4.61
Rot. Bonds4

About 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide

3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide (PubChem CID 124673699) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide.

Molecular Properties

Compound Name3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
PubChem CID124673699
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCC[C@@H]1c1cccc(C(N)=O)c1
InChIInChI=1S/C23H27N3O/c1-15-12-16(2)22-19(9-10-25-22)20(15)14-26-11-4-3-8-21(26)17-6-5-7-18(13-17)23(24)27/h5-7,9-10,12-13,21,25H,3-4,8,11,14H2,1-2H3,(H2,24,27)/t21-/m1/s1
InChIKeyPRHWUJYHWKQVQL-OAQYLSRUSA-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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Related Compounds

4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
CID 90466305
[4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanesulfinate
CID 174789964
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]azepan-2-yl]benzoic acid
CID 90466744
2-amino-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 176939626
4-[(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-hydroxypiperidin-2-yl]benzoic acid
CID 121362634
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 166762650
2-(difluoromethyl)-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 176842182
(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine
CID 125493472
4-[(2S,4S)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-methoxypiperidin-2-yl]benzoic acid
CID 90467757
4-[4-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1,4-oxazecan-5-yl]benzoic acid
CID 174345665
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

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
The IUPAC name of 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide (CID 124673699) is 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide.
What is the SMILES notation for 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
The canonical SMILES for 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide is Cc1cc(C)c2[nH]ccc2c1CN1CCCC[C@@H]1c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
The InChIKey is PRHWUJYHWKQVQL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O/c1-15-12-16(2)22-19(9-10-25-22)20(15)14-26-11-4-3-8-21(26)17-6-5-7-18(13-17)23(24)27/h5-7,9-10,12-13,21,25H,3-4,8,11,14H2,1-2H3,(H2,24,27)/t21-/m1/s1.
What are the key properties of 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide?
3-[(2R)-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 3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide is sourced from PubChem (CID 124673699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).