2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide

C21H24Cl2N2O2 — CID 24504184

IUPAC2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24Cl2N2O2/c1-15(27-20-8-6-18(23)7-9-20)21(26)24-19-10-12-25(13-11-19)14-16-2-4-17(22)5-3-16/h2-9,15,19H,10-14H2,1H3,(H,24,26)
InChIKeyUCAXSZBRGSPIIP-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.54
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide

2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 24504184) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
PubChem CID24504184
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24Cl2N2O2/c1-15(27-20-8-6-18(23)7-9-20)21(26)24-19-10-12-25(13-11-19)14-16-2-4-17(22)5-3-16/h2-9,15,19H,10-14H2,1H3,(H,24,26)
InChIKeyUCAXSZBRGSPIIP-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 91433559
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide (CID 24504184) is 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is UCAXSZBRGSPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-15(27-20-8-6-18(23)7-9-20)21(26)24-19-10-12-25(13-11-19)14-16-2-4-17(22)5-3-16/h2-9,15,19H,10-14H2,1H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 407.34 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 24504184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).