(4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

C27H28N2O — CID 11646928

IUPAC(4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCc1ccc(C(=O)c2cn(CC3CCCCN3C)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H28N2O/c1-19-14-15-24(22-11-4-3-10-21(19)22)27(30)25-18-29(26-13-6-5-12-23(25)26)17-20-9-7-8-16-28(20)2/h3-6,10-15,18,20H,7-9,16-17H2,1-2H3
InChIKeyRDMIHSQDEHAIDU-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.82
Rot. Bonds4

About (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

(4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (PubChem CID 11646928) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
PubChem CID11646928
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name(4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCc1ccc(C(=O)c2cn(CC3CCCCN3C)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H28N2O/c1-19-14-15-24(22-11-4-3-10-21(19)22)27(30)25-18-29(26-13-6-5-12-23(25)26)17-20-9-7-8-16-28(20)2/h3-6,10-15,18,20H,7-9,16-17H2,1-2H3
InChIKeyRDMIHSQDEHAIDU-UHFFFAOYSA-N
XLogP5.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The IUPAC name of (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (CID 11646928) is (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.
What is the SMILES notation for (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The canonical SMILES for (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is Cc1ccc(C(=O)c2cn(CC3CCCCN3C)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The InChIKey is RDMIHSQDEHAIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c1-19-14-15-24(22-11-4-3-10-21(19)22)27(30)25-18-29(26-13-6-5-12-23(25)26)17-20-9-7-8-16-28(20)2/h3-6,10-15,18,20H,7-9,16-17H2,1-2H3.
What are the key properties of (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
(4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone has a molecular weight of 396.53 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylnaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is sourced from PubChem (CID 11646928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).