2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide

C23H28ClN3O3 — CID 134014545

IUPAC2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O3/c1-2-11-25-22(28)16-26-12-14-27(15-13-26)23(29)20-5-3-4-6-21(20)30-17-18-7-9-19(24)10-8-18/h3-10H,2,11-17H2,1H3,(H,25,28)
InChIKeyMUILBQWRMCPSLB-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.20
Rot. Bonds8

About 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 134014545) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
PubChem CID134014545
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O3/c1-2-11-25-22(28)16-26-12-14-27(15-13-26)23(29)20-5-3-4-6-21(20)30-17-18-7-9-19(24)10-8-18/h3-10H,2,11-17H2,1H3,(H,25,28)
InChIKeyMUILBQWRMCPSLB-UHFFFAOYSA-N
XLogP3.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide
CID 78801291
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822
N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 43048299
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide
CID 36918078
N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27741719

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide (CID 134014545) is 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is MUILBQWRMCPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-2-11-25-22(28)16-26-12-14-27(15-13-26)23(29)20-5-3-4-6-21(20)30-17-18-7-9-19(24)10-8-18/h3-10H,2,11-17H2,1H3,(H,25,28).
What are the key properties of 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 429.95 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 134014545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).