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

C16H24ClN3O3 — CID 119824847

IUPAC3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CCNCC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-10-18(14-6-8-17-9-7-14)16(20)13-4-5-15(19(21)22)12(2)11-13;/h4-5,11,14,17H,3,6-10H2,1-2H3;1H
InChIKeyFEZKWEQKBYBBCO-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.93
Rot. Bonds5

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

3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119824847) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119824847
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CCNCC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-10-18(14-6-8-17-9-7-14)16(20)13-4-5-15(19(21)22)12(2)11-13;/h4-5,11,14,17H,3,6-10H2,1-2H3;1H
InChIKeyFEZKWEQKBYBBCO-UHFFFAOYSA-N
XLogP2.93
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826016
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
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-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825801
N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
CID 66215454
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propylbenzamide
CID 60656043
4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119824847) is 3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CCNCC1.Cl.
What is the InChIKey of 3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is FEZKWEQKBYBBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-3-10-18(14-6-8-17-9-7-14)16(20)13-4-5-15(19(21)22)12(2)11-13;/h4-5,11,14,17H,3,6-10H2,1-2H3;1H.
What are the key properties of 3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119824847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).