N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

C19H22ClN3O4 — CID 37376096

IUPACN-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22ClN3O4/c1-26-16-5-4-14(20)13-15(16)21-18(24)6-7-22-8-10-23(11-9-22)19(25)17-3-2-12-27-17/h2-5,12-13H,6-11H2,1H3,(H,21,24)
InChIKeyAIUUEEZKTFVEHK-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.73
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 37376096) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID37376096
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22ClN3O4/c1-26-16-5-4-14(20)13-15(16)21-18(24)6-7-22-8-10-23(11-9-22)19(25)17-3-2-12-27-17/h2-5,12-13H,6-11H2,1H3,(H,21,24)
InChIKeyAIUUEEZKTFVEHK-UHFFFAOYSA-N
XLogP2.73
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030220
methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
CID 109030209
N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 37405485
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110807734
N-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 51302513
[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 86804160
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376304

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 37376096) is N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is AIUUEEZKTFVEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-26-16-5-4-14(20)13-15(16)21-18(24)6-7-22-8-10-23(11-9-22)19(25)17-3-2-12-27-17/h2-5,12-13H,6-11H2,1H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 391.86 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 37376096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).