4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride

C16H24ClN3O3 — CID 119461600

IUPAC4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCCC(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C16H23N3O3.ClH/c17-16(21)13-3-5-14(6-4-13)22-9-7-15(20)19-11-12-2-1-8-18-10-12;/h3-6,12,18H,1-2,7-11H2,(H2,17,21)(H,19,20);1H
InChIKeyWJZDFSNXDDALOJ-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.09
Rot. Bonds7

About 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride

4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride (PubChem CID 119461600) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
PubChem CID119461600
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCCC(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C16H23N3O3.ClH/c17-16(21)13-3-5-14(6-4-13)22-9-7-15(20)19-11-12-2-1-8-18-10-12;/h3-6,12,18H,1-2,7-11H2,(H2,17,21)(H,19,20);1H
InChIKeyWJZDFSNXDDALOJ-UHFFFAOYSA-N
XLogP1.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119511609
3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119463901
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
3-(4-chlorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555737
3-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555554
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
CID 119461425
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558807
4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119620022

Frequently Asked Questions

What is the IUPAC name of 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride?
The IUPAC name of 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride (CID 119461600) is 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride?
The canonical SMILES for 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride is Cl.NC(=O)c1ccc(OCCC(=O)NCC2CCCNC2)cc1.
What is the InChIKey of 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride?
The InChIKey is WJZDFSNXDDALOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c17-16(21)13-3-5-14(6-4-13)22-9-7-15(20)19-11-12-2-1-8-18-10-12;/h3-6,12,18H,1-2,7-11H2,(H2,17,21)(H,19,20);1H.
What are the key properties of 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride?
4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride is sourced from PubChem (CID 119461600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).