4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C15H23ClN4O3 — CID 119826016

IUPAC4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCNCC1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-2-9-18(12-5-7-17-8-6-12)15(20)11-3-4-13(16)14(10-11)19(21)22;/h3-4,10,12,17H,2,5-9,16H2,1H3;1H
InChIKeyYLMJADJFNVUVAH-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.20
Rot. Bonds5

About 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119826016) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119826016
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC Name4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCNCC1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-2-9-18(12-5-7-17-8-6-12)15(20)11-3-4-13(16)14(10-11)19(21)22;/h3-4,10,12,17H,2,5-9,16H2,1H3;1H
InChIKeyYLMJADJFNVUVAH-UHFFFAOYSA-N
XLogP2.20
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824847
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
4-amino-N-cyclopropyl-N-(2-methoxyethyl)-3-nitrobenzamide
CID 60812227
4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide
CID 62159538
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-amino-N-cyclopropyl-N-ethyl-4-nitrobenzamide
CID 62683042
4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119826016) is 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCNCC1.Cl.
What is the InChIKey of 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is YLMJADJFNVUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c1-2-9-18(12-5-7-17-8-6-12)15(20)11-3-4-13(16)14(10-11)19(21)22;/h3-4,10,12,17H,2,5-9,16H2,1H3;1H.
What are the key properties of 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119826016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).