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

C26H26N2O2 — CID 11545756

IUPAC(4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2ccc(O)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-27-15-7-6-8-18(27)16-28-17-23(20-10-4-5-12-24(20)28)26(30)22-13-14-25(29)21-11-3-2-9-19(21)22/h2-5,9-14,17-18,29H,6-8,15-16H2,1H3
InChIKeyADSQNNVUKDSCQJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.22
Rot. Bonds4

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

(4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (PubChem CID 11545756) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
PubChem CID11545756
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2ccc(O)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-27-15-7-6-8-18(27)16-28-17-23(20-10-4-5-12-24(20)28)26(30)22-13-14-25(29)21-11-3-2-9-19(21)22/h2-5,9-14,17-18,29H,6-8,15-16H2,1H3
InChIKeyADSQNNVUKDSCQJ-UHFFFAOYSA-N
XLogP5.22
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The IUPAC name of (4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (CID 11545756) is (4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.
What is the SMILES notation for (4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The canonical SMILES for (4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is CN1CCCCC1Cn1cc(C(=O)c2ccc(O)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The InChIKey is ADSQNNVUKDSCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-27-15-7-6-8-18(27)16-28-17-23(20-10-4-5-12-24(20)28)26(30)22-13-14-25(29)21-11-3-2-9-19(21)22/h2-5,9-14,17-18,29H,6-8,15-16H2,1H3.
What are the key properties of (4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
(4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is sourced from PubChem (CID 11545756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).