2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide

C17H25ClN2O2 — CID 110027638

IUPAC2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCCCN2CCC(O)CC2)cc1C
InChIInChI=1S/C17H25ClN2O2/c1-12-10-15(16(18)11-13(12)2)17(22)19-6-3-7-20-8-4-14(21)5-9-20/h10-11,14,21H,3-9H2,1-2H3,(H,19,22)
InChIKeyBZLZAKMCRUEXGK-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.53
Rot. Bonds5

About 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide

2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide (PubChem CID 110027638) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
PubChem CID110027638
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCCCN2CCC(O)CC2)cc1C
InChIInChI=1S/C17H25ClN2O2/c1-12-10-15(16(18)11-13(12)2)17(22)19-6-3-7-20-8-4-14(21)5-9-20/h10-11,14,21H,3-9H2,1-2H3,(H,19,22)
InChIKeyBZLZAKMCRUEXGK-UHFFFAOYSA-N
XLogP2.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 111499093
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 110007287
2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111434042
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
CID 111429581
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
CID 110028260
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
CID 111429422
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
CID 142245443
2,4-dichloro-N-[4-(4-methylpiperidin-1-yl)butyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55724763
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111429528
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide?
The IUPAC name of 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide (CID 110027638) is 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide is Cc1cc(Cl)c(C(=O)NCCCN2CCC(O)CC2)cc1C.
What is the InChIKey of 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide?
The InChIKey is BZLZAKMCRUEXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12-10-15(16(18)11-13(12)2)17(22)19-6-3-7-20-8-4-14(21)5-9-20/h10-11,14,21H,3-9H2,1-2H3,(H,19,22).
What are the key properties of 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide?
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide has a molecular weight of 324.85 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide is sourced from PubChem (CID 110027638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).