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

C15H20ClN3O3 — CID 43020133

IUPAC4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20ClN3O3/c16-12-5-6-13(14(11-12)19(21)22)15(20)17-7-4-10-18-8-2-1-3-9-18/h5-6,11H,1-4,7-10H2,(H,17,20)
InChIKeySMJKGGGRZNHJAC-UHFFFAOYSA-N
MW325.80 g/mol
LogP2.85
Rot. Bonds6

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

4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 43020133) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID43020133
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20ClN3O3/c16-12-5-6-13(14(11-12)19(21)22)15(20)17-7-4-10-18-8-2-1-3-9-18/h5-6,11H,1-4,7-10H2,(H,17,20)
InChIKeySMJKGGGRZNHJAC-UHFFFAOYSA-N
XLogP2.85
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
4-chloro-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide;hydrochloride
CID 21321569
4-chloro-N-[2-(cycloheptylamino)ethyl]-2-nitrobenzamide
CID 119619506
N-(5-bromopentyl)-4-chloro-2-nitrobenzamide
CID 107322126
N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269
4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 21240823
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
4-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 119500583
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 64868492
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-nitrobenzamide
CID 55634194
(4-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
CID 874551

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide (CID 43020133) is 4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is SMJKGGGRZNHJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c16-12-5-6-13(14(11-12)19(21)22)15(20)17-7-4-10-18-8-2-1-3-9-18/h5-6,11H,1-4,7-10H2,(H,17,20).
What are the key properties of 4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide?
4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 325.80 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 43020133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).