[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone

C14H19N3O4 — CID 81485588

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H19N3O4/c18-14(12-3-4-13(21-12)17(19)20)16-7-5-11(6-8-16)15-9-10-1-2-10/h3-4,10-11,15H,1-2,5-9H2
InChIKeyJGWABHIDMFODJF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.79
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone (PubChem CID 81485588) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
PubChem CID81485588
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H19N3O4/c18-14(12-3-4-13(21-12)17(19)20)16-7-5-11(6-8-16)15-9-10-1-2-10/h3-4,10-11,15H,1-2,5-9H2
InChIKeyJGWABHIDMFODJF-UHFFFAOYSA-N
XLogP1.79
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
2-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980622
(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493
[4-(2-chloroethoxy)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 82701838
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
CID 33097638
1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 33089265
[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 119489082
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 119636056
[4-methyl-4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 115304279
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methoxy-5-nitrophenyl)methanone;hydrochloride
CID 119625194
N-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 119622496

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone (CID 81485588) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone is O=C(c1ccc([N+](=O)[O-])o1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
The InChIKey is JGWABHIDMFODJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-14(12-3-4-13(21-12)17(19)20)16-7-5-11(6-8-16)15-9-10-1-2-10/h3-4,10-11,15H,1-2,5-9H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone has a molecular weight of 293.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 81485588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).