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

C15H22ClN3O3 — CID 119390379

IUPAC3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OCCC(=O)NC2CCNCC2)c1
InChIInChI=1S/C15H21N3O3.ClH/c16-15(20)11-2-1-3-13(10-11)21-9-6-14(19)18-12-4-7-17-8-5-12;/h1-3,10,12,17H,4-9H2,(H2,16,20)(H,18,19);1H
InChIKeyHMZXFFMWIXGVRX-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.84
Rot. Bonds6

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

3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride (PubChem CID 119390379) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
PubChem CID119390379
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OCCC(=O)NC2CCNCC2)c1
InChIInChI=1S/C15H21N3O3.ClH/c16-15(20)11-2-1-3-13(10-11)21-9-6-14(19)18-12-4-7-17-8-5-12;/h1-3,10,12,17H,4-9H2,(H2,16,20)(H,18,19);1H
InChIKeyHMZXFFMWIXGVRX-UHFFFAOYSA-N
XLogP0.84
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
CID 119454270
3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide
CID 119459544
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide
CID 95974632
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119385928
3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119504319
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120882283
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride?
The IUPAC name of 3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride (CID 119390379) is 3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride.
What is the SMILES notation for 3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride?
The canonical SMILES for 3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride is Cl.NC(=O)c1cccc(OCCC(=O)NC2CCNCC2)c1.
What is the InChIKey of 3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride?
The InChIKey is HMZXFFMWIXGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c16-15(20)11-2-1-3-13(10-11)21-9-6-14(19)18-12-4-7-17-8-5-12;/h1-3,10,12,17H,4-9H2,(H2,16,20)(H,18,19);1H.
What are the key properties of 3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride?
3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 0.84, 6 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-4-ylamino)propoxy]benzamide;hydrochloride is sourced from PubChem (CID 119390379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).