(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone

C22H24N2O — CID 39581120

IUPAC(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCC(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C22H24N2O/c1-15-12-16(2)19-14-21(23-20(19)13-15)22(25)24-10-8-18(9-11-24)17-6-4-3-5-7-17/h3-7,12-14,18,23H,8-11H2,1-2H3
InChIKeyODMAMPMKVJIMMB-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.80
Rot. Bonds2

About (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone

(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 39581120) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID39581120
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCC(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C22H24N2O/c1-15-12-16(2)19-14-21(23-20(19)13-15)22(25)24-10-8-18(9-11-24)17-6-4-3-5-7-17/h3-7,12-14,18,23H,8-11H2,1-2H3
InChIKeyODMAMPMKVJIMMB-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

(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 35788544
4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239311
(2S)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694567
(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694565
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248179
(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 92626049
(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 91642214
1-(4,6-dimethyl-1H-indole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 126814432
(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 24660786
(4,6-dimethyl-1H-indol-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734831

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone (CID 39581120) is (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone is Cc1cc(C)c2cc(C(=O)N3CCC(c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is ODMAMPMKVJIMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-12-16(2)19-14-21(23-20(19)13-15)22(25)24-10-8-18(9-11-24)17-6-4-3-5-7-17/h3-7,12-14,18,23H,8-11H2,1-2H3.
What are the key properties of (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-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 (4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 39581120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).