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

C16H24ClN3O4 — CID 119825588

IUPAC4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CCNCC1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-3-10-18(13-6-8-17-9-7-13)16(20)12-4-5-15(23-2)14(11-12)19(21)22;/h4-5,11,13,17H,3,6-10H2,1-2H3;1H
InChIKeyBFBINQLMTHIWJO-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.63
Rot. Bonds6

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

4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119825588) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119825588
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC Name4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CCNCC1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-3-10-18(13-6-8-17-9-7-13)16(20)12-4-5-15(23-2)14(11-12)19(21)22;/h4-5,11,13,17H,3,6-10H2,1-2H3;1H
InChIKeyBFBINQLMTHIWJO-UHFFFAOYSA-N
XLogP2.63
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824847
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994139
N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide
CID 104783801
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
3-(cyclopropylsulfamoyl)-4-methoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824864
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
CID 25486643
N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912831
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552123

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119825588) is 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CCNCC1.Cl.
What is the InChIKey of 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is BFBINQLMTHIWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-3-10-18(13-6-8-17-9-7-13)16(20)12-4-5-15(23-2)14(11-12)19(21)22;/h4-5,11,13,17H,3,6-10H2,1-2H3;1H.
What are the key properties of 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119825588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).