N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide

C21H23ClN2O3 — CID 108558340

IUPACN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1cccc(O)c1
InChIInChI=1S/C21H23ClN2O3/c22-17-7-4-15(5-8-17)6-9-20(26)24-12-10-18(11-13-24)23-21(27)16-2-1-3-19(25)14-16/h1-5,7-8,14,18,25H,6,9-13H2,(H,23,27)
InChIKeyGJKKKGSIODJZJD-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.40
Rot. Bonds5

About N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide

N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide (PubChem CID 108558340) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide
PubChem CID108558340
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1cccc(O)c1
InChIInChI=1S/C21H23ClN2O3/c22-17-7-4-15(5-8-17)6-9-20(26)24-12-10-18(11-13-24)23-21(27)16-2-1-3-19(25)14-16/h1-5,7-8,14,18,25H,6,9-13H2,(H,23,27)
InChIKeyGJKKKGSIODJZJD-UHFFFAOYSA-N
XLogP3.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
[3-[[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927499
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108566500
N-[1-(2-aminoacetyl)pyrrolidin-3-yl]-3-hydroxybenzamide
CID 151293594
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
N-[1-[4-(4-chlorophenyl)sulfanylbutanoyl]piperidin-4-yl]benzamide
CID 24575407
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554273
N,N-diethyl-4-[(3-hydroxybenzoyl)amino]piperidine-1-carboxamide
CID 108562959

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide (CID 108558340) is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide is O=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1cccc(O)c1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide?
The InChIKey is GJKKKGSIODJZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-17-7-4-15(5-8-17)6-9-20(26)24-12-10-18(11-13-24)23-21(27)16-2-1-3-19(25)14-16/h1-5,7-8,14,18,25H,6,9-13H2,(H,23,27).
What are the key properties of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide?
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide has a molecular weight of 386.88 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide is sourced from PubChem (CID 108558340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).