2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide

C24H33ClN4O2 — CID 112801714

IUPAC2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(C)C(CNC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H33ClN4O2/c1-27(2)23(20-6-4-3-5-7-20)18-26-24(30)19-29-14-12-28(13-15-29)16-17-31-22-10-8-21(25)9-11-22/h3-11,23H,12-19H2,1-2H3,(H,26,30)
InChIKeyLQTVYZAHNXCKDV-UHFFFAOYSA-N
MW445.01 g/mol
LogP2.76
Rot. Bonds10

About 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide

2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (PubChem CID 112801714) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
PubChem CID112801714
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(C)C(CNC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H33ClN4O2/c1-27(2)23(20-6-4-3-5-7-20)18-26-24(30)19-29-14-12-28(13-15-29)16-17-31-22-10-8-21(25)9-11-22/h3-11,23H,12-19H2,1-2H3,(H,26,30)
InChIKeyLQTVYZAHNXCKDV-UHFFFAOYSA-N
XLogP2.76
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8907064
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534609
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112799962
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260111
N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259761

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (CID 112801714) is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is CN(C)C(CNC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The InChIKey is LQTVYZAHNXCKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c1-27(2)23(20-6-4-3-5-7-20)18-26-24(30)19-29-14-12-28(13-15-29)16-17-31-22-10-8-21(25)9-11-22/h3-11,23H,12-19H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide has a molecular weight of 445.01 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is sourced from PubChem (CID 112801714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).