N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C17H24N4O4 — CID 108528811

IUPACN-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N(C=O)CCCN)CC1
InChIInChI=1S/C17H24N4O4/c1-25-15-6-3-2-5-14(15)19-9-11-20(12-10-19)16(23)17(24)21(13-22)8-4-7-18/h2-3,5-6,13H,4,7-12,18H2,1H3
InChIKeyGARQMUTZXZZMOV-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.32
Rot. Bonds6

About N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108528811) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108528811
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N(C=O)CCCN)CC1
InChIInChI=1S/C17H24N4O4/c1-25-15-6-3-2-5-14(15)19-9-11-20(12-10-19)16(23)17(24)21(13-22)8-4-7-18/h2-3,5-6,13H,4,7-12,18H2,1H3
InChIKeyGARQMUTZXZZMOV-UHFFFAOYSA-N
XLogP-0.32
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108528608
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108520976
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978792
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513767
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108528811) is N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)N(C=O)CCCN)CC1.
What is the InChIKey of N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is GARQMUTZXZZMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-25-15-6-3-2-5-14(15)19-9-11-20(12-10-19)16(23)17(24)21(13-22)8-4-7-18/h2-3,5-6,13H,4,7-12,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 348.40 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108528811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).