2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride

C16H24ClN3O3 — CID 119825202

IUPAC2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-2-11-18(14-7-9-17-10-8-14)16(20)12-13-3-5-15(6-4-13)19(21)22;/h3-6,14,17H,2,7-12H2,1H3;1H
InChIKeyZUYRXHBPNFSUCK-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.55
Rot. Bonds6

About 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride

2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (PubChem CID 119825202) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
PubChem CID119825202
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-2-11-18(14-7-9-17-10-8-14)16(20)12-13-3-5-15(6-4-13)19(21)22;/h3-6,14,17H,2,7-12H2,1H3;1H
InChIKeyZUYRXHBPNFSUCK-UHFFFAOYSA-N
XLogP2.55
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.55
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

ethane;2-(4-methylsulfonylphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrate
CID 142910553
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine
CID 60806659
3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823365
2-(6-methyl-3-pyridinyl)-N-piperidin-4-yl-N-propylacetamide
CID 119825418
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-piperidin-4-yl-N-propyl-2-thiophen-3-ylacetamide
CID 60806077
4-(4-nitroanilino)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532084
2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532645
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (CID 119825202) is 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCNCC1.Cl.
What is the InChIKey of 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The InChIKey is ZUYRXHBPNFSUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-2-11-18(14-7-9-17-10-8-14)16(20)12-13-3-5-15(6-4-13)19(21)22;/h3-6,14,17H,2,7-12H2,1H3;1H.
What are the key properties of 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119825202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).