2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide

C14H20ClN3O2 — CID 69347794

IUPAC2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNCC2CC(N)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-20-13-3-2-10(6-12(13)15)9-18-5-4-17-8-11(18)7-14(16)19/h2-3,6,11,17H,4-5,7-9H2,1H3,(H2,16,19)
InChIKeyFAHRTLXIPQHTHH-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.00
Rot. Bonds5

About 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide

2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide (PubChem CID 69347794) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide
PubChem CID69347794
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNCC2CC(N)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-20-13-3-2-10(6-12(13)15)9-18-5-4-17-8-11(18)7-14(16)19/h2-3,6,11,17H,4-5,7-9H2,1H3,(H2,16,19)
InChIKeyFAHRTLXIPQHTHH-UHFFFAOYSA-N
XLogP1.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
(2R)-1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpiperazine
CID 95212131
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64846052
1-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79085542
ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
CID 134465394
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine
CID 120768816
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,4-diazepane
CID 82303795
1-(3-chloro-4-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229969
1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine
CID 64831564

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide?
The IUPAC name of 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide (CID 69347794) is 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide?
The canonical SMILES for 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide is COc1ccc(CN2CCNCC2CC(N)=O)cc1Cl.
What is the InChIKey of 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide?
The InChIKey is FAHRTLXIPQHTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-20-13-3-2-10(6-12(13)15)9-18-5-4-17-8-11(18)7-14(16)19/h2-3,6,11,17H,4-5,7-9H2,1H3,(H2,16,19).
What are the key properties of 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide?
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 69347794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).