N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide

C19H20ClN3O4 — CID 1252873

IUPACN-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C19H20ClN3O4/c20-16-5-4-6-17(19(16)22-11-2-1-3-12-22)21-18(24)13-27-15-9-7-14(8-10-15)23(25)26/h4-10H,1-3,11-13H2,(H,21,24)
InChIKeyMSXCMQZYNHPWBM-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.26
Rot. Bonds6

About N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide

N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 1252873) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID1252873
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C19H20ClN3O4/c20-16-5-4-6-17(19(16)22-11-2-1-3-12-22)21-18(24)13-27-15-9-7-14(8-10-15)23(25)26/h4-10H,1-3,11-13H2,(H,21,24)
InChIKeyMSXCMQZYNHPWBM-UHFFFAOYSA-N
XLogP4.26
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.26
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

2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1266149
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
CID 3596700
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17177111
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide
CID 55507135
N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4695392
2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
CID 5034506
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 50881707
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide (CID 1252873) is N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1N1CCCCC1.
What is the InChIKey of N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is MSXCMQZYNHPWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c20-16-5-4-6-17(19(16)22-11-2-1-3-12-22)21-18(24)13-27-15-9-7-14(8-10-15)23(25)26/h4-10H,1-3,11-13H2,(H,21,24).
What are the key properties of N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide?
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 389.84 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 1252873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).