3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid

C15H20N4O5 — CID 82033164

IUPAC3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCCN(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C15H20N4O5/c1-17(8-6-14(20)21)15(22)11-3-2-7-18(10-11)13-5-4-12(9-16-13)19(23)24/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,20,21)
InChIKeyHSYGHYMPLNBNKV-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.14
Rot. Bonds6

About 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid

3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 82033164) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID82033164
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCCN(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C15H20N4O5/c1-17(8-6-14(20)21)15(22)11-3-2-7-18(10-11)13-5-4-12(9-16-13)19(23)24/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,20,21)
InChIKeyHSYGHYMPLNBNKV-UHFFFAOYSA-N
XLogP1.14
TPSA116.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
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

(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
(3S)-N-(4-bromophenyl)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 29105857
(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 29105207
[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 2859766
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanone
CID 29105052
N-[[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide
CID 42960358
tert-butyl N-[(3R)-1-(5-nitro-2-pyridinyl)piperidin-3-yl]carbamate
CID 97174007
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
[1-(5-nitro-2-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174683157
N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 24567424
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid (CID 82033164) is 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)C1CCCN(c2ccc([N+](=O)[O-])cn2)C1.
What is the InChIKey of 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is HSYGHYMPLNBNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-17(8-6-14(20)21)15(22)11-3-2-7-18(10-11)13-5-4-12(9-16-13)19(23)24/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,20,21).
What are the key properties of 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid?
3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 336.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 82033164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).