N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C19H28N4O4 — CID 108973773

IUPACN-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C19H28N4O4/c1-21(2)9-4-8-20-17(25)19(6-7-19)18(26)23-12-10-22(11-13-23)16(24)15-5-3-14-27-15/h3,5,14H,4,6-13H2,1-2H3,(H,20,25)
InChIKeyDPSZRVKLIDIMDH-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.41
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 108973773) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID108973773
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C19H28N4O4/c1-21(2)9-4-8-20-17(25)19(6-7-19)18(26)23-12-10-22(11-13-23)16(24)15-5-3-14-27-15/h3,5,14H,4,6-13H2,1-2H3,(H,20,25)
InChIKeyDPSZRVKLIDIMDH-UHFFFAOYSA-N
XLogP0.41
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970845
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978891
N-[2-(dimethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 108994620
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109186130
N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167903
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108973731
N-[3-(dimethylamino)propyl]-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113117863
N-[2-(dimethylamino)ethyl]-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109185331
N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111166456
furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone
CID 46328246

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 108973773) is N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is CN(C)CCCNC(=O)C1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is DPSZRVKLIDIMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-21(2)9-4-8-20-17(25)19(6-7-19)18(26)23-12-10-22(11-13-23)16(24)15-5-3-14-27-15/h3,5,14H,4,6-13H2,1-2H3,(H,20,25).
What are the key properties of N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108973773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).