N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide

C23H28N2O4 — CID 108557567

IUPACN-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)C(C)Oc3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C23H28N2O4/c1-15-4-5-18(14-16(15)2)22(27)24-19-10-12-25(13-11-19)23(28)17(3)29-21-8-6-20(26)7-9-21/h4-9,14,17,19,26H,10-13H2,1-3H3,(H,24,27)
InChIKeyWQJHZQLOVZXMMP-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.20
Rot. Bonds5

About N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide

N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide (PubChem CID 108557567) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
PubChem CID108557567
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)C(C)Oc3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C23H28N2O4/c1-15-4-5-18(14-16(15)2)22(27)24-19-10-12-25(13-11-19)23(28)17(3)29-21-8-6-20(26)7-9-21/h4-9,14,17,19,26H,10-13H2,1-3H3,(H,24,27)
InChIKeyWQJHZQLOVZXMMP-UHFFFAOYSA-N
XLogP3.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557466
3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108553820
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554683
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550032
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108549664
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553423

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide (CID 108557567) is N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC2CCN(C(=O)C(C)Oc3ccc(O)cc3)CC2)cc1C.
What is the InChIKey of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide?
The InChIKey is WQJHZQLOVZXMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15-4-5-18(14-16(15)2)22(27)24-19-10-12-25(13-11-19)23(28)17(3)29-21-8-6-20(26)7-9-21/h4-9,14,17,19,26H,10-13H2,1-3H3,(H,24,27).
What are the key properties of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide?
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 108557567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).