4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide

C17H25ClN2O3 — CID 110007287

IUPAC4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
SMILESCCOc1cc(Cl)ccc1C(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C17H25ClN2O3/c1-2-23-16-12-13(18)4-5-15(16)17(22)19-8-3-9-20-10-6-14(21)7-11-20/h4-5,12,14,21H,2-3,6-11H2,1H3,(H,19,22)
InChIKeyNNNAYPLWBWWIDX-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.32
Rot. Bonds7

About 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide

4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide (PubChem CID 110007287) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
PubChem CID110007287
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
SMILESCCOc1cc(Cl)ccc1C(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C17H25ClN2O3/c1-2-23-16-12-13(18)4-5-15(16)17(22)19-8-3-9-20-10-6-14(21)7-11-20/h4-5,12,14,21H,2-3,6-11H2,1H3,(H,19,22)
InChIKeyNNNAYPLWBWWIDX-UHFFFAOYSA-N
XLogP2.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
CID 111429422
2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 111433871
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid
CID 120522449
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
3-[(4-chloro-2-ethoxybenzoyl)amino]propanoic acid
CID 120515164
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 111499093
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide (CID 110007287) is 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide is CCOc1cc(Cl)ccc1C(=O)NCCCN1CCC(O)CC1.
What is the InChIKey of 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide?
The InChIKey is NNNAYPLWBWWIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-2-23-16-12-13(18)4-5-15(16)17(22)19-8-3-9-20-10-6-14(21)7-11-20/h4-5,12,14,21H,2-3,6-11H2,1H3,(H,19,22).
What are the key properties of 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide?
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide has a molecular weight of 340.85 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 110007287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).