N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide

C14H18ClN3O3 — CID 7409437

IUPACN-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C14H18ClN3O3/c1-10-3-2-6-17(8-10)9-14(19)16-13-5-4-11(18(20)21)7-12(13)15/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyQCMXOCZIINIRHH-SNVBAGLBSA-N
MW311.77 g/mol
LogP2.92
Rot. Bonds4

About N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide

N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide (PubChem CID 7409437) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
PubChem CID7409437
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C14H18ClN3O3/c1-10-3-2-6-17(8-10)9-14(19)16-13-5-4-11(18(20)21)7-12(13)15/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyQCMXOCZIINIRHH-SNVBAGLBSA-N
XLogP2.92
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.92
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

2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-chloro-4-nitrophenyl)acetamide
CID 11940822
N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
CID 858222
N-(2-chloro-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 2892723
N-(4-chloro-3-nitrophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 3128753
2-[4-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 36888971
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-chloro-5-nitrophenyl)acetamide
CID 27518345
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7746228
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-chloro-5-nitrophenyl)acetamide
CID 124719658
N-(2-chloro-4-nitrophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019481
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-cyclopentyl-dimethylazanium
CID 8875505
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(2-chloro-4-nitrophenyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 9445369

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide (CID 7409437) is N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is QCMXOCZIINIRHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-10-3-2-6-17(8-10)9-14(19)16-13-5-4-11(18(20)21)7-12(13)15/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,19)/t10-/m1/s1.
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 311.77 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 7409437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).