2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide

C21H34N2O3 — CID 4197500

IUPAC2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide
SMILESCCCCCN(CCC(=O)N1CCC(C)CC1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C21H34N2O3/c1-5-6-7-11-23(21(25)19-15-17(3)26-18(19)4)14-10-20(24)22-12-8-16(2)9-13-22/h15-16H,5-14H2,1-4H3
InChIKeyYNJCSUPVVLAXSX-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.18
Rot. Bonds8

About 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide

2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide (PubChem CID 4197500) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide
PubChem CID4197500
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide
SMILESCCCCCN(CCC(=O)N1CCC(C)CC1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C21H34N2O3/c1-5-6-7-11-23(21(25)19-15-17(3)26-18(19)4)14-10-20(24)22-12-8-16(2)9-13-22/h15-16H,5-14H2,1-4H3
InChIKeyYNJCSUPVVLAXSX-UHFFFAOYSA-N
XLogP4.18
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 816495
N-butyl-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 3437554
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 4642783
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646373
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 4148902
N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 3303521
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 42779763
ethyl 1-[3-[benzyl-(2,5-dimethylfuran-3-carbonyl)amino]propanoyl]piperidine-3-carboxylate
CID 4153618

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide (CID 4197500) is 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide is CCCCCN(CCC(=O)N1CCC(C)CC1)C(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide?
The InChIKey is YNJCSUPVVLAXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-5-6-7-11-23(21(25)19-15-17(3)26-18(19)4)14-10-20(24)22-12-8-16(2)9-13-22/h15-16H,5-14H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide?
2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide has a molecular weight of 362.51 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide is sourced from PubChem (CID 4197500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).