(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone

C23H26N2O3 — CID 113086533

IUPAC(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H26N2O3/c1-27-20-8-5-9-21(28-2)22(20)23(26)25-12-10-16(11-13-25)14-17-15-24-19-7-4-3-6-18(17)19/h3-9,15-16,24H,10-14H2,1-2H3
InChIKeyWQRVPQQLPFTCSC-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.28
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 113086533) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID113086533
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H26N2O3/c1-27-20-8-5-9-21(28-2)22(20)23(26)25-12-10-16(11-13-25)14-17-15-24-19-7-4-3-6-18(17)19/h3-9,15-16,24H,10-14H2,1-2H3
InChIKeyWQRVPQQLPFTCSC-UHFFFAOYSA-N
XLogP4.28
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545
(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086552
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
1-(4-benzylpiperidin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 56925383
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
CID 54508259
(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
CID 113206938
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 78890809
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone (CID 113086533) is (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCC(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WQRVPQQLPFTCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-20-8-5-9-21(28-2)22(20)23(26)25-12-10-16(11-13-25)14-17-15-24-19-7-4-3-6-18(17)19/h3-9,15-16,24H,10-14H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 378.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113086533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).