2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

C20H23ClN2O2 — CID 18268297

IUPAC2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-19-11-5-16(21)6-12-19)20(24)22-17-7-9-18(10-8-17)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyIPGUXVBAFWVVCN-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.74
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 18268297) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID18268297
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-19-11-5-16(21)6-12-19)20(24)22-17-7-9-18(10-8-17)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyIPGUXVBAFWVVCN-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 17419365
2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686
(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 8002204
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 95077718
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636
2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559401
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 41408806
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 4943957

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (CID 18268297) is 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is IPGUXVBAFWVVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(25-19-11-5-16(21)6-12-19)20(24)22-17-7-9-18(10-8-17)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 18268297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).