2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C21H25ClN2O2 — CID 8544780

IUPAC2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O2/c22-19-8-10-20(11-9-19)26-16-21(25)23-14-17-4-6-18(7-5-17)15-24-12-2-1-3-13-24/h4-11H,1-3,12-16H2,(H,23,25)
InChIKeyMJOAFDAOKGIDNA-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.02
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 8544780) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID8544780
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O2/c22-19-8-10-20(11-9-19)26-16-21(25)23-14-17-4-6-18(7-5-17)15-24-12-2-1-3-13-24/h4-11H,1-3,12-16H2,(H,23,25)
InChIKeyMJOAFDAOKGIDNA-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743222
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
2-(4-bromo-3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767841
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-bromo-2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767851
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007084
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55840604
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 8544780) is 2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is MJOAFDAOKGIDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-8-10-20(11-9-19)26-16-21(25)23-14-17-4-6-18(7-5-17)15-24-12-2-1-3-13-24/h4-11H,1-3,12-16H2,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 372.90 g/mol, XLogP of 4.02, 7 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-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8544780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).