N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide

C24H34N3O3+ — CID 7261485

IUPACN-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
SMILESCCCN(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccoc1C
InChIInChI=1S/C24H33N3O3/c1-3-13-27(24(29)22-12-17-30-19(22)2)16-11-23(28)25-21-9-14-26(15-10-21)18-20-7-5-4-6-8-20/h4-8,12,17,21H,3,9-11,13-16,18H2,1-2H3,(H,25,28)/p+1
InChIKeyCSLJXOZPWZEWLU-UHFFFAOYSA-O
MW412.55 g/mol
LogP2.19
Rot. Bonds9

About N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide

N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide (PubChem CID 7261485) has the molecular formula C24H34N3O3+ and a molecular weight of 412.55 g/mol. Its IUPAC name is N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
PubChem CID7261485
Molecular FormulaC24H34N3O3+
Molecular Weight412.55 g/mol
Exact Mass412.26
IUPAC NameN-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
SMILESCCCN(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccoc1C
InChIInChI=1S/C24H33N3O3/c1-3-13-27(24(29)22-12-17-30-19(22)2)16-11-23(28)25-21-9-14-26(15-10-21)18-20-7-5-4-6-8-20/h4-8,12,17,21H,3,9-11,13-16,18H2,1-2H3,(H,25,28)/p+1
InChIKeyCSLJXOZPWZEWLU-UHFFFAOYSA-O
XLogP2.19
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide with MolForge

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Related Compounds

N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 7419199
N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 5127775
N-[3-(2-methoxyethylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779802
N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779801
N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 816497
N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 5124108
N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide
CID 42779867
N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 815268
ethyl 1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8773087
N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide
CID 9208935
3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 5103103
N-[3-(dipropylamino)-3-oxopropyl]-2-methyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780309

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide?
The IUPAC name of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide (CID 7261485) is N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide?
The canonical SMILES for N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide is CCCN(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccoc1C.
What is the InChIKey of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide?
The InChIKey is CSLJXOZPWZEWLU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H33N3O3/c1-3-13-27(24(29)22-12-17-30-19(22)2)16-11-23(28)25-21-9-14-26(15-10-21)18-20-7-5-4-6-8-20/h4-8,12,17,21H,3,9-11,13-16,18H2,1-2H3,(H,25,28)/p+1.
What are the key properties of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide?
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide has a molecular weight of 412.55 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide is sourced from PubChem (CID 7261485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).