4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide

C13H18ClN3O2 — CID 110675953

IUPAC4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
SMILESCOCNC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-19-10-15-13(18)17-7-5-16(6-8-17)12-4-2-3-11(14)9-12/h2-4,9H,5-8,10H2,1H3,(H,15,18)
InChIKeyJOZWWYIBABKTMI-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.78
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide (PubChem CID 110675953) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
PubChem CID110675953
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
SMILESCOCNC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-19-10-15-13(18)17-7-5-16(6-8-17)12-4-2-3-11(14)9-12/h2-4,9H,5-8,10H2,1H3,(H,15,18)
InChIKeyJOZWWYIBABKTMI-UHFFFAOYSA-N
XLogP1.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 3957217
4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214019
4-(3-chlorophenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186560
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 60554267

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide (CID 110675953) is 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide is COCNC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide?
The InChIKey is JOZWWYIBABKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-19-10-15-13(18)17-7-5-16(6-8-17)12-4-2-3-11(14)9-12/h2-4,9H,5-8,10H2,1H3,(H,15,18).
What are the key properties of 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 110675953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).