1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide

C24H28ClN3O2 — CID 55714590

IUPAC1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCC3)cc2)CC1
InChIInChI=1S/C24H28ClN3O2/c1-27-12-14-28(15-13-27)22(29)19-8-6-18(7-9-19)17-26-23(30)24(10-3-11-24)20-4-2-5-21(25)16-20/h2,4-9,16H,3,10-15,17H2,1H3,(H,26,30)
InChIKeyOTJAFAFLINXFKL-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.47
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 55714590) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID55714590
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCC3)cc2)CC1
InChIInChI=1S/C24H28ClN3O2/c1-27-12-14-28(15-13-27)22(29)19-8-6-18(7-9-19)17-26-23(30)24(10-3-11-24)20-4-2-5-21(25)16-20/h2,4-9,16H,3,10-15,17H2,1H3,(H,26,30)
InChIKeyOTJAFAFLINXFKL-UHFFFAOYSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
CID 55779960
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
CID 33097792
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 55972909
1-(3-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 55677645
N-[[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
CID 78813329
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide (CID 55714590) is 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide is CN1CCN(C(=O)c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCC3)cc2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is OTJAFAFLINXFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-27-12-14-28(15-13-27)22(29)19-8-6-18(7-9-19)17-26-23(30)24(10-3-11-24)20-4-2-5-21(25)16-20/h2,4-9,16H,3,10-15,17H2,1H3,(H,26,30).
What are the key properties of 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55714590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).