[2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone

C27H28N2O — CID 10408456

IUPAC[2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C27H28N2O/c1-20-26(27(30)23-14-9-11-21-10-3-4-12-22(21)23)24-13-5-6-15-25(24)29(20)19-18-28-16-7-2-8-17-28/h3-6,9-15H,2,7-8,16-19H2,1H3
InChIKeyQCPFOAJQEVJJES-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.82
Rot. Bonds5

About [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone

[2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 10408456) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID10408456
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name[2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C27H28N2O/c1-20-26(27(30)23-14-9-11-21-10-3-4-12-22(21)23)24-13-5-6-15-25(24)29(20)19-18-28-16-7-2-8-17-28/h3-6,9-15H,2,7-8,16-19H2,1H3
InChIKeyQCPFOAJQEVJJES-UHFFFAOYSA-N
XLogP5.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
Jwh-200
CID 10045570
Jwh 015
CID 4273754
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
Setipiprant
CID 49843471
Jwh 307
CID 16049783
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418307
AM-1220, (+-)-
CID 9929889
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone (CID 10408456) is [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone is Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCCCC1.
What is the InChIKey of [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is QCPFOAJQEVJJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c1-20-26(27(30)23-14-9-11-21-10-3-4-12-22(21)23)24-13-5-6-15-25(24)29(20)19-18-28-16-7-2-8-17-28/h3-6,9-15H,2,7-8,16-19H2,1H3.
What are the key properties of [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
[2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 396.53 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 10408456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).