N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide

C14H17Cl2N3O2 — CID 109018090

IUPACN-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide
SMILESO=CN1CCN(CCC(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-3-12(14(11)16)17-13(21)4-5-18-6-8-19(10-20)9-7-18/h1-3,10H,4-9H2,(H,17,21)
InChIKeyCSWFFGIHJJXZHU-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.10
Rot. Bonds5

About N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide

N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide (PubChem CID 109018090) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide
PubChem CID109018090
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide
SMILESO=CN1CCN(CCC(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-3-12(14(11)16)17-13(21)4-5-18-6-8-19(10-20)9-7-18/h1-3,10H,4-9H2,(H,17,21)
InChIKeyCSWFFGIHJJXZHU-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 110864352
ethyl 4-[3-(2,3-dichloroanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029198
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide
CID 109018076
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;oxalic acid
CID 171154325
3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N-(2,3-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2654826
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide (CID 109018090) is N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide is O=CN1CCN(CCC(=O)Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide?
The InChIKey is CSWFFGIHJJXZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-11-2-1-3-12(14(11)16)17-13(21)4-5-18-6-8-19(10-20)9-7-18/h1-3,10H,4-9H2,(H,17,21).
What are the key properties of N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide?
N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide has a molecular weight of 330.22 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109018090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).