4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide

C32H34N2O4 — CID 11540768

IUPAC4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H34N2O4/c1-33(2)32(36)24-8-6-23(7-9-24)29-16-10-25-22-26(35)11-17-30(25)31(29)38-28-14-12-27(13-15-28)37-21-20-34-18-4-3-5-19-34/h6-17,22,35H,3-5,18-21H2,1-2H3
InChIKeyKZGJWJJJDKPFMH-UHFFFAOYSA-N
MW510.63 g/mol
LogP6.57
Rot. Bonds8

About 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide

4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide (PubChem CID 11540768) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
PubChem CID11540768
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC Name4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H34N2O4/c1-33(2)32(36)24-8-6-23(7-9-24)29-16-10-25-22-26(35)11-17-30(25)31(29)38-28-14-12-27(13-15-28)37-21-20-34-18-4-3-5-19-34/h6-17,22,35H,3-5,18-21H2,1-2H3
InChIKeyKZGJWJJJDKPFMH-UHFFFAOYSA-N
XLogP6.57
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide (CID 11540768) is 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?
The InChIKey is KZGJWJJJDKPFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-33(2)32(36)24-8-6-23(7-9-24)29-16-10-25-22-26(35)11-17-30(25)31(29)38-28-14-12-27(13-15-28)37-21-20-34-18-4-3-5-19-34/h6-17,22,35H,3-5,18-21H2,1-2H3.
What are the key properties of 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?
4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide has a molecular weight of 510.63 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 11540768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).