3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

C15H26ClN5O3 — CID 119823671

IUPAC3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCNCC1.Cl
InChIInChI=1S/C15H25N5O3.ClH/c1-3-9-19(13-4-7-16-8-5-13)15(21)6-10-18-11-14(20(22)23)17-12(18)2;/h11,13,16H,3-10H2,1-2H3;1H
InChIKeySNVNGUMLFULKIK-UHFFFAOYSA-N
MW359.86 g/mol
LogP1.90
Rot. Bonds7

About 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 119823671) has the molecular formula C15H26ClN5O3 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID119823671
Molecular FormulaC15H26ClN5O3
Molecular Weight359.86 g/mol
Exact Mass359.17
IUPAC Name3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCNCC1.Cl
InChIInChI=1S/C15H25N5O3.ClH/c1-3-9-19(13-4-7-16-8-5-13)15(21)6-10-18-11-14(20(22)23)17-12(18)2;/h11,13,16H,3-10H2,1-2H3;1H
InChIKeySNVNGUMLFULKIK-UHFFFAOYSA-N
XLogP1.90
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 51.90
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

3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530440
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119826337
3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
1-butyl-2-methyl-4-nitroimidazole
CID 2801466
2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825202
N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride
CID 119823537
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
CID 60805753
3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119530274
3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823365
2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532645

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 119823671) is 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCNCC1.Cl.
What is the InChIKey of 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is SNVNGUMLFULKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3.ClH/c1-3-9-19(13-4-7-16-8-5-13)15(21)6-10-18-11-14(20(22)23)17-12(18)2;/h11,13,16H,3-10H2,1-2H3;1H.
What are the key properties of 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119823671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).