N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide

C12H16N4O3 — CID 49430968

IUPACN-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16N4O3/c1-9(17)14-10-4-7-15(8-5-10)12-11(16(18)19)3-2-6-13-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,14,17)
InChIKeyGTGNWRSCRAUJEA-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.09
Rot. Bonds3

About N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide

N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide (PubChem CID 49430968) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
PubChem CID49430968
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16N4O3/c1-9(17)14-10-4-7-15(8-5-10)12-11(16(18)19)3-2-6-13-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,14,17)
InChIKeyGTGNWRSCRAUJEA-UHFFFAOYSA-N
XLogP1.09
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.09
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'}

Analyze N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide
CID 133273015
(2S)-2-acetamido-3-(3-methylphenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide
CID 7451750
ethyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 60631682
ethane;1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethanone;propane
CID 142827395
1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
CID 2806149
1-[4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 9112318
(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol
CID 133395692
1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]but-2-yn-1-one
CID 142827420
methyl-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]borinic acid
CID 20763912
N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 107058314
(2R)-2-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
CID 95617552
N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]acetamide
CID 146106896

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide (CID 49430968) is N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide?
The InChIKey is GTGNWRSCRAUJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-9(17)14-10-4-7-15(8-5-10)12-11(16(18)19)3-2-6-13-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,14,17).
What are the key properties of N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide?
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 49430968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).