2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

C22H27ClN2O2 — CID 132658438

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16-14-20(10-11-21(16)23)27-17(2)22(26)24-15-18-6-8-19(9-7-18)25-12-4-3-5-13-25/h6-11,14,17H,3-5,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCXONWBLJUNXXKS-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.72
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 132658438) 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)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID132658438
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16-14-20(10-11-21(16)23)27-17(2)22(26)24-15-18-6-8-19(9-7-18)25-12-4-3-5-13-25/h6-11,14,17H,3-5,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCXONWBLJUNXXKS-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675494
(2R)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675493
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 99959505
2-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53288784
2-(4-chloro-3-methylphenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838261
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166916
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 100600862
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987
N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (CID 132658438) is 2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide is Cc1cc(OC(C)C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is CXONWBLJUNXXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-16-14-20(10-11-21(16)23)27-17(2)22(26)24-15-18-6-8-19(9-7-18)25-12-4-3-5-13-25/h6-11,14,17H,3-5,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 386.92 g/mol, XLogP of 4.72, 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)methyl]propanamide is sourced from PubChem (CID 132658438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).