N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide

C21H25ClN2O2 — CID 109006523

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H25ClN2O2/c1-16-3-2-12-24(13-16)14-21(25)23-19-8-10-20(11-9-19)26-15-17-4-6-18(22)7-5-17/h4-11,16H,2-3,12-15H2,1H3,(H,23,25)
InChIKeyZKZGCABUHSENHZ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.59
Rot. Bonds6

About N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide

N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 109006523) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID109006523
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H25ClN2O2/c1-16-3-2-12-24(13-16)14-21(25)23-19-8-10-20(11-9-19)26-15-17-4-6-18(22)7-5-17/h4-11,16H,2-3,12-15H2,1H3,(H,23,25)
InChIKeyZKZGCABUHSENHZ-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide (CID 109006523) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is ZKZGCABUHSENHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-16-3-2-12-24(13-16)14-21(25)23-19-8-10-20(11-9-19)26-15-17-4-6-18(22)7-5-17/h4-11,16H,2-3,12-15H2,1H3,(H,23,25).
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 372.90 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 109006523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).