3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide

C28H31ClN2O3 — CID 10480227

IUPAC3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide
SMILESCc1ccc(O)c(NC(=O)CCN2CCC(OC(c3ccccc3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C28H31ClN2O3/c1-20-7-12-26(32)25(19-20)30-27(33)15-18-31-16-13-24(14-17-31)34-28(21-5-3-2-4-6-21)22-8-10-23(29)11-9-22/h2-12,19,24,28,32H,13-18H2,1H3,(H,30,33)
InChIKeyWQWRQDMEUPFZJZ-UHFFFAOYSA-N
MW479.02 g/mol
LogP5.95
Rot. Bonds8

About 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide

3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide (PubChem CID 10480227) has the molecular formula C28H31ClN2O3 and a molecular weight of 479.02 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide
PubChem CID10480227
Molecular FormulaC28H31ClN2O3
Molecular Weight479.02 g/mol
Exact Mass478.20
IUPAC Name3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide
SMILESCc1ccc(O)c(NC(=O)CCN2CCC(OC(c3ccccc3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C28H31ClN2O3/c1-20-7-12-26(32)25(19-20)30-27(33)15-18-31-16-13-24(14-17-31)34-28(21-5-3-2-4-6-21)22-8-10-23(29)11-9-22/h2-12,19,24,28,32H,13-18H2,1H3,(H,30,33)
InChIKeyWQWRQDMEUPFZJZ-UHFFFAOYSA-N
XLogP5.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.02
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide 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

2-[3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propylamino]-4-methylphenol
CID 10253913
3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 10316907
ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate
CID 10069658
2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid
CID 19874364
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
methyl 6-[4-[phenyl-(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]hexanoate
CID 139601779
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid;4-methylbenzenesulfonic acid;hydrate
CID 42636349
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 10432016
3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride
CID 67831048
bis(4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid);methane;hydroiodide
CID 158854553

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide (CID 10480227) is 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide is Cc1ccc(O)c(NC(=O)CCN2CCC(OC(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide?
The InChIKey is WQWRQDMEUPFZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O3/c1-20-7-12-26(32)25(19-20)30-27(33)15-18-31-16-13-24(14-17-31)34-28(21-5-3-2-4-6-21)22-8-10-23(29)11-9-22/h2-12,19,24,28,32H,13-18H2,1H3,(H,30,33).
What are the key properties of 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide?
3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide has a molecular weight of 479.02 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide is sourced from PubChem (CID 10480227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).