N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide

C14H18ClN3O3 — CID 4879395

IUPACN-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H18ClN3O3/c1-10-4-6-17(7-5-10)9-14(19)16-12-3-2-11(15)8-13(12)18(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,16,19)
InChIKeyNQCMFDRITXOCBH-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.92
Rot. Bonds4

About N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide

N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 4879395) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID4879395
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H18ClN3O3/c1-10-4-6-17(7-5-10)9-14(19)16-12-3-2-11(15)8-13(12)18(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,16,19)
InChIKeyNQCMFDRITXOCBH-UHFFFAOYSA-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

1-(5-Chloro-2-nitrophenyl)piperidine
CID 3096079
Benzenamine, 4-chloro-N-ethyl-2-nitro-
CID 97006
2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2088142
2-Chloro-5-(4-methyl-1-piperidinyl)-4-nitroaniline
CID 2921571
1-(5-Chloro-2-nitrophenyl)piperidine-4-carboxamide
CID 3890485
7-Chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 12747055
1-(4-Chloro-2-nitrophenyl)piperidine
CID 285318
Aniline, 4-chloro-N-(2-(diethylamino)ethyl)-2-nitro-
CID 32210
1-(4-Chloro-2-nitrophenyl)piperazine hydrochloride
CID 2771405
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide
CID 1253256
N'-(4-chloro-2-nitrophenyl)-N,N-dimethylethane-1,2-diamine
CID 2829597
N-(4-chloro-2-nitrophenyl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 2829604

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide (CID 4879395) is N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is NQCMFDRITXOCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-10-4-6-17(7-5-10)9-14(19)16-12-3-2-11(15)8-13(12)18(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,16,19).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(4-chloro-2-nitrophenyl)-2-(4-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-(4-chloro-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 4879395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).