N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide

C12H19N5O3 — CID 120556078

IUPACN-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H19N5O3/c1-9-6-13-4-2-11(9)15-12(18)3-5-16-8-10(7-14-16)17(19)20/h7-9,11,13H,2-6H2,1H3,(H,15,18)
InChIKeyDFSFDXDBDGPUHD-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.30
Rot. Bonds5

About N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide

N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide (PubChem CID 120556078) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide
PubChem CID120556078
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H19N5O3/c1-9-6-13-4-2-11(9)15-12(18)3-5-16-8-10(7-14-16)17(19)20/h7-9,11,13H,2-6H2,1H3,(H,15,18)
InChIKeyDFSFDXDBDGPUHD-UHFFFAOYSA-N
XLogP0.30
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide
CID 120553171
N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 95770990
3-(4-nitropyrazol-1-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446899
N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 120575393
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
N-(3-methylpiperidin-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 120556062
3-(4-nitropyrazol-1-yl)-N-[(1R,2R)-2-phenoxycyclopentyl]propanamide
CID 97082768
3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide
CID 71876400
3-(4-nitropyrazol-1-yl)-N-[[(2S)-thiolan-2-yl]methyl]propanamide
CID 97076322
1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitropyrazol-1-yl)propan-1-one
CID 4769356
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120557615
N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 95307033

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide (CID 120556078) is N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide is CC1CNCCC1NC(=O)CCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is DFSFDXDBDGPUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-9-6-13-4-2-11(9)15-12(18)3-5-16-8-10(7-14-16)17(19)20/h7-9,11,13H,2-6H2,1H3,(H,15,18).
What are the key properties of N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide?
N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 281.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 120556078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).