N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride

C15H22ClN3O4 — CID 120601482

IUPACN-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride
SMILESCC1CC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCN1.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-11-10-12(6-8-16-11)17-15(19)7-9-22-14-5-3-2-4-13(14)18(20)21;/h2-5,11-12,16H,6-10H2,1H3,(H,17,19);1H
InChIKeyWTJJRFRHPAWOJI-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.04
Rot. Bonds6

About N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride

N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride (PubChem CID 120601482) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride
PubChem CID120601482
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride
SMILESCC1CC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCN1.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-11-10-12(6-8-16-11)17-15(19)7-9-22-14-5-3-2-4-13(14)18(20)21;/h2-5,11-12,16H,6-10H2,1H3,(H,17,19);1H
InChIKeyWTJJRFRHPAWOJI-UHFFFAOYSA-N
XLogP2.04
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.04
H-Bond Donors ≤ 52
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

3-(2-nitrophenoxy)-N-piperidin-4-ylpropanamide
CID 119388489
3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide
CID 119427117
N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride
CID 120599838
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600849
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993
N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
CID 87013578
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-methylpiperidin-4-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 120599567
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride (CID 120601482) is N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride is CC1CC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride?
The InChIKey is WTJJRFRHPAWOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.ClH/c1-11-10-12(6-8-16-11)17-15(19)7-9-22-14-5-3-2-4-13(14)18(20)21;/h2-5,11-12,16H,6-10H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120601482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).