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

C11H15N3O4 — CID 119560801

IUPAC[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
SMILESCNC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C11H15N3O4/c1-12-8-4-6-13(7-5-8)11(15)9-2-3-10(18-9)14(16)17/h2-3,8,12H,4-7H2,1H3
InChIKeyMPUMQSJNGZSJLP-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.01
Rot. Bonds3

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

[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone (PubChem CID 119560801) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
PubChem CID119560801
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
SMILESCNC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C11H15N3O4/c1-12-8-4-6-13(7-5-8)11(15)9-2-3-10(18-9)14(16)17/h2-3,8,12H,4-7H2,1H3
InChIKeyMPUMQSJNGZSJLP-UHFFFAOYSA-N
XLogP1.01
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.01
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-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 81485588
[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 119489082
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
2-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980622
[4-methyl-4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 115304279
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 33089265
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
CID 33097638
[4-(2-chloroethoxy)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 82701838
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 119636056
[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone
CID 81484873

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone (CID 119560801) is [4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone is CNC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
The InChIKey is MPUMQSJNGZSJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-12-8-4-6-13(7-5-8)11(15)9-2-3-10(18-9)14(16)17/h2-3,8,12H,4-7H2,1H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone has a molecular weight of 253.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 119560801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).