3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide

C16H23N3O3 — CID 119464575

IUPAC3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)NCC2CCCNC2)c1
InChIInChI=1S/C16H23N3O3/c17-16(21)13-4-1-5-14(9-13)22-8-6-15(20)19-11-12-3-2-7-18-10-12/h1,4-5,9,12,18H,2-3,6-8,10-11H2,(H2,17,21)(H,19,20)
InChIKeyYZBUPKJFGCRLLM-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.67
Rot. Bonds7

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

3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide (PubChem CID 119464575) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide.

Molecular Properties

Compound Name3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
PubChem CID119464575
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)NCC2CCCNC2)c1
InChIInChI=1S/C16H23N3O3/c17-16(21)13-4-1-5-14(9-13)22-8-6-15(20)19-11-12-3-2-7-18-10-12/h1,4-5,9,12,18H,2-3,6-8,10-11H2,(H2,17,21)(H,19,20)
InChIKeyYZBUPKJFGCRLLM-UHFFFAOYSA-N
XLogP0.67
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600
3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
CID 119454270
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
CID 119390379
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119463901
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide?
The IUPAC name of 3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide (CID 119464575) is 3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide.
What is the SMILES notation for 3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide?
The canonical SMILES for 3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide is NC(=O)c1cccc(OCCC(=O)NCC2CCCNC2)c1.
What is the InChIKey of 3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide?
The InChIKey is YZBUPKJFGCRLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c17-16(21)13-4-1-5-14(9-13)22-8-6-15(20)19-11-12-3-2-7-18-10-12/h1,4-5,9,12,18H,2-3,6-8,10-11H2,(H2,17,21)(H,19,20).
What are the key properties of 3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide?
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide has a molecular weight of 305.38 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide is sourced from PubChem (CID 119464575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).