3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide

C14H18ClN3O3 — CID 82778500

IUPAC3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H18ClN3O3/c15-12-10-11(4-5-13(12)18(20)21)14(19)16-6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2,(H,16,19)
InChIKeyLKJRKZLXIOBESA-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.46
Rot. Bonds5

About 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide

3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 82778500) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID82778500
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H18ClN3O3/c15-12-10-11(4-5-13(12)18(20)21)14(19)16-6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2,(H,16,19)
InChIKeyLKJRKZLXIOBESA-UHFFFAOYSA-N
XLogP2.46
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.46
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

3-chloro-N-[2-(4-methoxypiperidin-1-yl)ethyl]-4-nitrobenzamide
CID 75478760
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
N-(2-acetamidoethyl)-3-chloro-4-nitrobenzamide
CID 82781778
3-chloro-N-hex-5-ynyl-4-nitrobenzamide
CID 103873331
5-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62642033
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-chloro-N-hexyl-4-nitrobenzamide
CID 82781291
2-[(3-chloro-4-nitrobenzoyl)amino]ethyl carbamate
CID 83210859
3-chloro-4-nitro-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 104864823
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
3-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447275

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide (CID 82778500) is 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is LKJRKZLXIOBESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c15-12-10-11(4-5-13(12)18(20)21)14(19)16-6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2,(H,16,19).
What are the key properties of 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide?
3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 311.77 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 82778500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).