N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide

C15H24N6O4 — CID 119481533

IUPACN-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N2CCCC(C(=O)NCCN)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N6O4/c1-2-4-11-13(21(24)25)12(19-18-11)15(23)20-8-3-5-10(9-20)14(22)17-7-6-16/h10H,2-9,16H2,1H3,(H,17,22)(H,18,19)
InChIKeyHETFXFKGHDMDDX-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.20
Rot. Bonds7

About N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 119481533) has the molecular formula C15H24N6O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID119481533
Molecular FormulaC15H24N6O4
Molecular Weight352.40 g/mol
Exact Mass352.19
IUPAC NameN-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N2CCCC(C(=O)NCCN)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N6O4/c1-2-4-11-13(21(24)25)12(19-18-11)15(23)20-8-3-5-10(9-20)14(22)17-7-6-16/h10H,2-9,16H2,1H3,(H,17,22)(H,18,19)
InChIKeyHETFXFKGHDMDDX-UHFFFAOYSA-N
XLogP0.20
TPSA147.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.20
H-Bond Donors ≤ 53
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

[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone
CID 119541339
N-(2-aminoethyl)-1-(5-nitro-1H-indazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479853
(3-methylpiperazin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119579590
N-(2-aminoethyl)-1-(5-fluoro-3-methyl-2-nitrobenzoyl)piperidine-3-carboxamide
CID 119482021
N-(2-aminoethyl)-1-(5-methyl-2-nitrobenzoyl)piperidine-3-carboxamide
CID 119480572
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone
CID 120810005
N-(2-aminoethyl)-1-(2-methyl-5-nitrobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119479704
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(2-aminoethyl)piperidine-3-carboxamide
CID 119481082
N-(2-aminoethyl)-1-(4-amino-3-nitrobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482085
N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479473
N-(2-aminoethyl)-1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119482394

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide (CID 119481533) is N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide is CCCc1[nH]nc(C(=O)N2CCCC(C(=O)NCCN)C2)c1[N+](=O)[O-].
What is the InChIKey of N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is HETFXFKGHDMDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O4/c1-2-4-11-13(21(24)25)12(19-18-11)15(23)20-8-3-5-10(9-20)14(22)17-7-6-16/h10H,2-9,16H2,1H3,(H,17,22)(H,18,19).
What are the key properties of N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119481533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).