2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

C19H22ClN3O3 — CID 24877661

IUPAC2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNCC2COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-25-17-8-4-15(5-9-17)22-19(24)23-11-10-21-12-16(23)13-26-18-6-2-14(20)3-7-18/h2-9,16,21H,10-13H2,1H3,(H,22,24)
InChIKeyCWJIRNFDDKXEIZ-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.23
Rot. Bonds5

About 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 24877661) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID24877661
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNCC2COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-25-17-8-4-15(5-9-17)22-19(24)23-11-10-21-12-16(23)13-26-18-6-2-14(20)3-7-18/h2-9,16,21H,10-13H2,1H3,(H,22,24)
InChIKeyCWJIRNFDDKXEIZ-UHFFFAOYSA-N
XLogP3.23
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
2-[(3-fluorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide;hydrochloride
CID 66796722
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
2-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 141003239
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
N-(4-chlorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 5070807
2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
CID 66797414
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797152

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 24877661) is 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCNCC2COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is CWJIRNFDDKXEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-25-17-8-4-15(5-9-17)22-19(24)23-11-10-21-12-16(23)13-26-18-6-2-14(20)3-7-18/h2-9,16,21H,10-13H2,1H3,(H,22,24).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 24877661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).