2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C25H33ClN2O3 — CID 42708101

IUPAC2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCOc1ccccc1CN(CCCN1CCCCC1C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN2O3/c1-20-8-5-6-15-27(20)16-7-17-28(18-21-9-3-4-10-24(21)30-2)25(29)19-31-23-13-11-22(26)12-14-23/h3-4,9-14,20H,5-8,15-19H2,1-2H3
InChIKeyTVONJYYWMZSUNY-UHFFFAOYSA-N
MW445.00 g/mol
LogP5.02
Rot. Bonds10

About 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 42708101) has the molecular formula C25H33ClN2O3 and a molecular weight of 445.00 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID42708101
Molecular FormulaC25H33ClN2O3
Molecular Weight445.00 g/mol
Exact Mass444.22
IUPAC Name2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCOc1ccccc1CN(CCCN1CCCCC1C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN2O3/c1-20-8-5-6-15-27(20)16-7-17-28(18-21-9-3-4-10-24(21)30-2)25(29)19-31-23-13-11-22(26)12-14-23/h3-4,9-14,20H,5-8,15-19H2,1-2H3
InChIKeyTVONJYYWMZSUNY-UHFFFAOYSA-N
XLogP5.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.00
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708096
3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42708507
N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708491
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
CID 8549897
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111215431
3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide
CID 11677281
1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylurea
CID 42700747
3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42708840
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42700768
3-chloro-2-[2-[2-(2-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoic acid
CID 110160992

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 42708101) is 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is COc1ccccc1CN(CCCN1CCCCC1C)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is TVONJYYWMZSUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O3/c1-20-8-5-6-15-27(20)16-7-17-28(18-21-9-3-4-10-24(21)30-2)25(29)19-31-23-13-11-22(26)12-14-23/h3-4,9-14,20H,5-8,15-19H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 445.00 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 42708101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).