3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide

C23H27N3O5 — CID 108553820

IUPAC3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)C(C)Oc3ccc(O)cc3)CC2)c1
InChIInChI=1S/C23H27N3O5/c1-15(31-21-8-6-20(28)7-9-21)23(30)26-12-10-18(11-13-26)25-22(29)17-4-3-5-19(14-17)24-16(2)27/h3-9,14-15,18,28H,10-13H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyWCDLJRZZTLSSAJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.54
Rot. Bonds6

About 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide

3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide (PubChem CID 108553820) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
PubChem CID108553820
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)C(C)Oc3ccc(O)cc3)CC2)c1
InChIInChI=1S/C23H27N3O5/c1-15(31-21-8-6-20(28)7-9-21)23(30)26-12-10-18(11-13-26)25-22(29)17-4-3-5-19(14-17)24-16(2)27/h3-9,14-15,18,28H,10-13H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyWCDLJRZZTLSSAJ-UHFFFAOYSA-N
XLogP2.54
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557466
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
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-hydroxyphenoxy)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550032
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
N-(3-acetylphenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 43814135
3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide (CID 108553820) is 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide is CC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)C(C)Oc3ccc(O)cc3)CC2)c1.
What is the InChIKey of 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is WCDLJRZZTLSSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-15(31-21-8-6-20(28)7-9-21)23(30)26-12-10-18(11-13-26)25-22(29)17-4-3-5-19(14-17)24-16(2)27/h3-9,14-15,18,28H,10-13H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide?
3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108553820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).