N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide

C17H28N3O3+ — CID 7482407

IUPACN-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide
SMILESCCCN(CCC(=O)N1CC[NH+](CC)CC1)C(=O)c1ccoc1
InChIInChI=1S/C17H27N3O3/c1-3-7-20(17(22)15-6-13-23-14-15)8-5-16(21)19-11-9-18(4-2)10-12-19/h6,13-14H,3-5,7-12H2,1-2H3/p+1
InChIKeyWWZBCBWBKSYSLR-UHFFFAOYSA-O
MW322.43 g/mol
LogP0.27
Rot. Bonds7

About N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide

N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide (PubChem CID 7482407) has the molecular formula C17H28N3O3+ and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide
PubChem CID7482407
Molecular FormulaC17H28N3O3+
Molecular Weight322.43 g/mol
Exact Mass322.21
IUPAC NameN-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide
SMILESCCCN(CCC(=O)N1CC[NH+](CC)CC1)C(=O)c1ccoc1
InChIInChI=1S/C17H27N3O3/c1-3-7-20(17(22)15-6-13-23-14-15)8-5-16(21)19-11-9-18(4-2)10-12-19/h6,13-14H,3-5,7-12H2,1-2H3/p+1
InChIKeyWWZBCBWBKSYSLR-UHFFFAOYSA-O
XLogP0.27
TPSA58.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 1030764
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779610
N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 7226719
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779630
N-cyclopropyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 814973
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779613
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4191902
N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
CID 43459665
N,N-bis(3-methylbutyl)furan-3-carboxamide
CID 78833315
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide (CID 7482407) is N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide is CCCN(CCC(=O)N1CC[NH+](CC)CC1)C(=O)c1ccoc1.
What is the InChIKey of N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide?
The InChIKey is WWZBCBWBKSYSLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27N3O3/c1-3-7-20(17(22)15-6-13-23-14-15)8-5-16(21)19-11-9-18(4-2)10-12-19/h6,13-14H,3-5,7-12H2,1-2H3/p+1.
What are the key properties of N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide?
N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide is sourced from PubChem (CID 7482407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).