N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide

C30H30N2O4 — CID 67610981

IUPACN-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccccc1Oc1c(-c2ccc(O)cc2)ccc2cc(O)ccc12
InChIInChI=1S/C30H30N2O4/c33-23-11-8-21(9-12-23)25-14-10-22-20-24(34)13-15-26(22)30(25)36-28-7-3-2-6-27(28)31-29(35)16-19-32-17-4-1-5-18-32/h2-3,6-15,20,33-34H,1,4-5,16-19H2,(H,31,35)
InChIKeyCRDATQVFSYCYRK-UHFFFAOYSA-N
MW482.58 g/mol
LogP6.52
Rot. Bonds7

About N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide

N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide (PubChem CID 67610981) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide
PubChem CID67610981
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC NameN-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccccc1Oc1c(-c2ccc(O)cc2)ccc2cc(O)ccc12
InChIInChI=1S/C30H30N2O4/c33-23-11-8-21(9-12-23)25-14-10-22-20-24(34)13-15-26(22)30(25)36-28-7-3-2-6-27(28)31-29(35)16-19-32-17-4-1-5-18-32/h2-3,6-15,20,33-34H,1,4-5,16-19H2,(H,31,35)
InChIKeyCRDATQVFSYCYRK-UHFFFAOYSA-N
XLogP6.52
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide (CID 67610981) is N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1ccccc1Oc1c(-c2ccc(O)cc2)ccc2cc(O)ccc12.
What is the InChIKey of N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is CRDATQVFSYCYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c33-23-11-8-21(9-12-23)25-14-10-22-20-24(34)13-15-26(22)30(25)36-28-7-3-2-6-27(28)31-29(35)16-19-32-17-4-1-5-18-32/h2-3,6-15,20,33-34H,1,4-5,16-19H2,(H,31,35).
What are the key properties of N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide?
N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 482.58 g/mol, XLogP of 6.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 67610981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).