N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide

C14H21N3O4 — CID 94119592

IUPACN-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
SMILESC[C@H]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C14H21N3O4/c1-11-4-2-8-16(10-11)9-3-7-15-14(18)12-5-6-13(21-12)17(19)20/h5-6,11H,2-4,7-10H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyKCUJTMVBYYZNAF-NSHDSACASA-N
MW295.34 g/mol
LogP2.04
Rot. Bonds6

About N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide

N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide (PubChem CID 94119592) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
PubChem CID94119592
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
SMILESC[C@H]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C14H21N3O4/c1-11-4-2-8-16(10-11)9-3-7-15-14(18)12-5-6-13(21-12)17(19)20/h5-6,11H,2-4,7-10H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyKCUJTMVBYYZNAF-NSHDSACASA-N
XLogP2.04
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 94116270
5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide
CID 51948414
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
5-(benzenesulfinylmethyl)-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20859479
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20968740
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-nitrofuran-2-carboxamide
CID 94121756
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide (CID 94119592) is N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide is C[C@H]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide?
The InChIKey is KCUJTMVBYYZNAF-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O4/c1-11-4-2-8-16(10-11)9-3-7-15-14(18)12-5-6-13(21-12)17(19)20/h5-6,11H,2-4,7-10H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide?
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 94119592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).