N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide

C21H23ClN2O5 — CID 108558175

IUPACN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C21H23ClN2O5/c1-13(29-19-4-2-15(22)3-5-19)21(28)24-8-6-16(7-9-24)23-20(27)14-10-17(25)12-18(26)11-14/h2-5,10-13,16,25-26H,6-9H2,1H3,(H,23,27)
InChIKeyABDYEPNFNGXAGK-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.94
Rot. Bonds5

About N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide (PubChem CID 108558175) has the molecular formula C21H23ClN2O5 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
PubChem CID108558175
Molecular FormulaC21H23ClN2O5
Molecular Weight418.88 g/mol
Exact Mass418.13
IUPAC NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C21H23ClN2O5/c1-13(29-19-4-2-15(22)3-5-19)21(28)24-8-6-16(7-9-24)23-20(27)14-10-17(25)12-18(26)11-14/h2-5,10-13,16,25-26H,6-9H2,1H3,(H,23,27)
InChIKeyABDYEPNFNGXAGK-UHFFFAOYSA-N
XLogP2.94
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
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]-4-oxopentanamide
CID 108558057
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555019
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554683
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108556788
3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide (CID 108558175) is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide is CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide?
The InChIKey is ABDYEPNFNGXAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5/c1-13(29-19-4-2-15(22)3-5-19)21(28)24-8-6-16(7-9-24)23-20(27)14-10-17(25)12-18(26)11-14/h2-5,10-13,16,25-26H,6-9H2,1H3,(H,23,27).
What are the key properties of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide?
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide has a molecular weight of 418.88 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108558175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).