2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide

C22H27ClN2O2 — CID 133166916

IUPAC2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-3-21(27-19-11-12-20(23)16(2)15-19)22(26)24-17-7-9-18(10-8-17)25-13-5-4-6-14-25/h7-12,15,21H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyFZXYOBSDMYDNMA-UHFFFAOYSA-N
MW386.92 g/mol
LogP5.43
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide

2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide (PubChem CID 133166916) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
PubChem CID133166916
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-3-21(27-19-11-12-20(23)16(2)15-19)22(26)24-17-7-9-18(10-8-17)25-13-5-4-6-14-25/h7-12,15,21H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyFZXYOBSDMYDNMA-UHFFFAOYSA-N
XLogP5.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.43
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

(2R)-2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99133336
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166849
(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2S)-2-(4-ethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507846
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131284
(2S)-2-(3,4-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131283
(2S)-2-(4-tert-butylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507876
(2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 100514335
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
CID 17217156

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide (CID 133166916) is 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
The InChIKey is FZXYOBSDMYDNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-3-21(27-19-11-12-20(23)16(2)15-19)22(26)24-17-7-9-18(10-8-17)25-13-5-4-6-14-25/h7-12,15,21H,3-6,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide has a molecular weight of 386.92 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 133166916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).