4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide

C18H20Cl2N3O+ — CID 7359826

IUPAC4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-16-7-6-15(12-17(16)20)21-18(24)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)/p+1
InChIKeyKUKNVTHFRYSYQU-UHFFFAOYSA-O
MW365.28 g/mol
LogP2.93
Rot. Bonds3

About 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide

4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide (PubChem CID 7359826) has the molecular formula C18H20Cl2N3O+ and a molecular weight of 365.28 g/mol. Its IUPAC name is 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide
PubChem CID7359826
Molecular FormulaC18H20Cl2N3O+
Molecular Weight365.28 g/mol
Exact Mass364.10
IUPAC Name4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-16-7-6-15(12-17(16)20)21-18(24)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)/p+1
InChIKeyKUKNVTHFRYSYQU-UHFFFAOYSA-O
XLogP2.93
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide
CID 5043777
4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 11576501
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106254
4-benzyl-N-(4-chlorophenyl)piperazin-4-ium-1-carbothioamide
CID 3585498
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
N-(3,4-dichlorophenyl)-4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11598084
4-(cyanomethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 60971116
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 9114365
(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide?
The IUPAC name of 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide (CID 7359826) is 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide?
The InChIKey is KUKNVTHFRYSYQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19Cl2N3O/c19-16-7-6-15(12-17(16)20)21-18(24)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)/p+1.
What are the key properties of 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide?
4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide has a molecular weight of 365.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide is sourced from PubChem (CID 7359826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).