N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide

C21H30Cl2N4O4 — CID 87696358

IUPACN-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)N(N)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H30Cl2N4O4/c1-2-3-4-5-16(13-26(31)14-28)21(30)27(24)17-8-10-25(11-9-17)20(29)15-6-7-18(22)19(23)12-15/h6-7,12,14,16-17,31H,2-5,8-11,13,24H2,1H3/t16-/m1/s1
InChIKeyYVDZAXPJYLJCLA-MRXNPFEDSA-N
MW473.40 g/mol
LogP3.34
Rot. Bonds10

About N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87696358) has the molecular formula C21H30Cl2N4O4 and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87696358
Molecular FormulaC21H30Cl2N4O4
Molecular Weight473.40 g/mol
Exact Mass472.16
IUPAC NameN-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)N(N)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H30Cl2N4O4/c1-2-3-4-5-16(13-26(31)14-28)21(30)27(24)17-8-10-25(11-9-17)20(29)15-6-7-18(22)19(23)12-15/h6-7,12,14,16-17,31H,2-5,8-11,13,24H2,1H3/t16-/m1/s1
InChIKeyYVDZAXPJYLJCLA-MRXNPFEDSA-N
XLogP3.34
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

Methoxy U-47700 (hydrochloride)
CID 155907659
N'-benzoyl-3,4-dichloro-N-propan-2-ylbenzohydrazide
CID 15617815
1-Benzoyl-2-(3,4-dichlorobenzoyl)-1-isopropylhydrazine
CID 15617817
N-[2-(3,4-dichlorophenyl)-4-[4-[ethyl(propanoyl)amino]piperidin-1-yl]butyl]-N-methylbenzamide;hydrochloride
CID 19421917
N-[2-(3,4-Dichlorophenyl)-4-[4-(N-ethylpropionamido)piperidino]butyl]-N-methylbenzamide
CID 19421918
N-[4-[4-[acetyl(propan-2-yl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide;hydrochloride
CID 19421920
N-[2-(3,4-Dichlorophenyl)-4-[4-(N-isopropylacetamido)piperidino]butyl]-N-methylbenzamide
CID 19421921
N-[2-(3,4-Dichlorophenyl)-4-[4-(N-ethylformamido)-piperidino]butyl]-N-methylbenzamide
CID 19421922
N-[2-(3,4-Dichlorophenyl)-4-[4-(N-ethylbutyramido)-piperidino]butyl]-N-methylbenzamide
CID 19421923
N-[4-[4-(N-Allylacetamido)-piperidino]-2-(3,4-dichloro-phenyl)butyl]-N-methylbenzamide
CID 19421924
N-[2-(3,4-Dichlorophenyl)-4-[4-(N-hexylacetamido)-piperidino]butyl]-N-methylbenzamide
CID 19421928
N-[2-(3,4-Dichlorophenyl)-4-[4-(N-ethylisobutyramido)-piperidino]butyl]-N-methylbenzamide
CID 19421929

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide (CID 87696358) is N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)N(N)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is YVDZAXPJYLJCLA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30Cl2N4O4/c1-2-3-4-5-16(13-26(31)14-28)21(30)27(24)17-8-10-25(11-9-17)20(29)15-6-7-18(22)19(23)12-15/h6-7,12,14,16-17,31H,2-5,8-11,13,24H2,1H3/t16-/m1/s1.
What are the key properties of N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 473.40 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87696358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).