2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide

C21H23ClN2O3 — CID 154646156

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
SMILESCC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NN1CCCCC1
InChIInChI=1S/C21H23ClN2O3/c1-15(21(26)23-24-13-3-2-4-14-24)27-19-11-7-17(8-12-19)20(25)16-5-9-18(22)10-6-16/h5-12,15H,2-4,13-14H2,1H3,(H,23,26)
InChIKeyRAAHJZXAPQDIBD-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.86
Rot. Bonds6

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide (PubChem CID 154646156) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
PubChem CID154646156
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
SMILESCC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NN1CCCCC1
InChIInChI=1S/C21H23ClN2O3/c1-15(21(26)23-24-13-3-2-4-14-24)27-19-11-7-17(8-12-19)20(25)16-5-9-18(22)10-6-16/h5-12,15H,2-4,13-14H2,1H3,(H,23,26)
InChIKeyRAAHJZXAPQDIBD-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
CID 94185711
4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid
CID 154646170
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 4943957
(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 164935393
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide (CID 154646156) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide is CC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NN1CCCCC1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide?
The InChIKey is RAAHJZXAPQDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-15(21(26)23-24-13-3-2-4-14-24)27-19-11-7-17(8-12-19)20(25)16-5-9-18(22)10-6-16/h5-12,15H,2-4,13-14H2,1H3,(H,23,26).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide has a molecular weight of 386.88 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide is sourced from PubChem (CID 154646156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).