N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide

C21H26ClN3O2 — CID 120753162

IUPACN-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1C1CNCCN1CCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-27-20-9-5-3-7-17(20)19-15-23-11-13-25(19)12-10-21(26)24-14-16-6-2-4-8-18(16)22/h2-9,19,23H,10-15H2,1H3,(H,24,26)
InChIKeyVRDUJNKOTUNMBC-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.00
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 120753162) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID120753162
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1C1CNCCN1CCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-27-20-9-5-3-7-17(20)19-15-23-11-13-25(19)12-10-21(26)24-14-16-6-2-4-8-18(16)22/h2-9,19,23H,10-15H2,1H3,(H,24,26)
InChIKeyVRDUJNKOTUNMBC-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753217
3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 120753701
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753574
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 120753647
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753885
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 120753156
N-(2-acetylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753523

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 120753162) is N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1C1CNCCN1CCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is VRDUJNKOTUNMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-27-20-9-5-3-7-17(20)19-15-23-11-13-25(19)12-10-21(26)24-14-16-6-2-4-8-18(16)22/h2-9,19,23H,10-15H2,1H3,(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 387.91 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 120753162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).