(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone

C22H24N2O — CID 113088558

IUPAC(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(c3cc4ccccc4[nH]3)C2)cc1C
InChIInChI=1S/C22H24N2O/c1-15-9-10-18(12-16(15)2)22(25)24-11-5-7-19(14-24)21-13-17-6-3-4-8-20(17)23-21/h3-4,6,8-10,12-13,19,23H,5,7,11,14H2,1-2H3
InChIKeySPDGCQVPDHMJIN-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.80
Rot. Bonds2

About (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone

(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 113088558) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID113088558
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(c3cc4ccccc4[nH]3)C2)cc1C
InChIInChI=1S/C22H24N2O/c1-15-9-10-18(12-16(15)2)22(25)24-11-5-7-19(14-24)21-13-17-6-3-4-8-20(17)23-21/h3-4,6,8-10,12-13,19,23H,5,7,11,14H2,1-2H3
InChIKeySPDGCQVPDHMJIN-UHFFFAOYSA-N
XLogP4.80
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 51957087
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone (CID 113088558) is (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(c3cc4ccccc4[nH]3)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is SPDGCQVPDHMJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-9-10-18(12-16(15)2)22(25)24-11-5-7-19(14-24)21-13-17-6-3-4-8-20(17)23-21/h3-4,6,8-10,12-13,19,23H,5,7,11,14H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone?
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 332.45 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113088558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).