3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one

C27H30ClNO5 — CID 110182502

IUPAC3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one
SMILESCOc1cc2cc(C(=O)CCN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2c(OC)c1OC
InChIInChI=1S/C27H30ClNO5/c1-32-24-17-19-16-18(4-9-22(19)25(33-2)26(24)34-3)23(30)10-13-29-14-11-27(31,12-15-29)20-5-7-21(28)8-6-20/h4-9,16-17,31H,10-15H2,1-3H3
InChIKeyOXLVBMCTYAQZCV-UHFFFAOYSA-N
MW483.99 g/mol
LogP5.08
Rot. Bonds8

About 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one

3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one (PubChem CID 110182502) has the molecular formula C27H30ClNO5 and a molecular weight of 483.99 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one
PubChem CID110182502
Molecular FormulaC27H30ClNO5
Molecular Weight483.99 g/mol
Exact Mass483.18
IUPAC Name3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one
SMILESCOc1cc2cc(C(=O)CCN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2c(OC)c1OC
InChIInChI=1S/C27H30ClNO5/c1-32-24-17-19-16-18(4-9-22(19)25(33-2)26(24)34-3)23(30)10-13-29-14-11-27(31,12-15-29)20-5-7-21(28)8-6-20/h4-9,16-17,31H,10-15H2,1-3H3
InChIKeyOXLVBMCTYAQZCV-UHFFFAOYSA-N
XLogP5.08
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.99
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3,4-dichlorophenyl)butan-1-one
CID 169436638
dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride
CID 110182318
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
CID 10941657
CID 10941657
3-chloro-N-[(E)-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethoxy]-2-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 87419292
4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820
4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol
CID 11705066
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanoate;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 87246802
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 91842375

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one (CID 110182502) is 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one is COc1cc2cc(C(=O)CCN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2c(OC)c1OC.
What is the InChIKey of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one?
The InChIKey is OXLVBMCTYAQZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClNO5/c1-32-24-17-19-16-18(4-9-22(19)25(33-2)26(24)34-3)23(30)10-13-29-14-11-27(31,12-15-29)20-5-7-21(28)8-6-20/h4-9,16-17,31H,10-15H2,1-3H3.
What are the key properties of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one?
3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one has a molecular weight of 483.99 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 110182502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).