N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide

C14H18ClN3O3 — CID 82865738

IUPACN-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H18ClN3O3/c15-12-9-11(4-6-13(12)18(20)21)17-14(19)7-5-10-3-1-2-8-16-10/h4,6,9-10,16H,1-3,5,7-8H2,(H,17,19)
InChIKeyRZMTYBLGFPZIFK-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.11
Rot. Bonds5

About N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide

N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide (PubChem CID 82865738) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide
PubChem CID82865738
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H18ClN3O3/c15-12-9-11(4-6-13(12)18(20)21)17-14(19)7-5-10-3-1-2-8-16-10/h4,6,9-10,16H,1-3,5,7-8H2,(H,17,19)
InChIKeyRZMTYBLGFPZIFK-UHFFFAOYSA-N
XLogP3.11
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
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

N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 82865757
N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide
CID 82864265
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107335001
3-[3-(3-chloro-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-4-nitrophenyl)propanamide
CID 3690405
N-(3-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 82864392
N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107744396
N-(3-fluoro-4-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212237
3-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62211801
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
4-chloro-3-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106633380

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide (CID 82865738) is N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide is O=C(CCC1CCCCN1)Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is RZMTYBLGFPZIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c15-12-9-11(4-6-13(12)18(20)21)17-14(19)7-5-10-3-1-2-8-16-10/h4,6,9-10,16H,1-3,5,7-8H2,(H,17,19).
What are the key properties of N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide?
N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 311.77 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 82865738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).