N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide

C23H27N3O4 — CID 166184363

IUPACN-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)N2CCCC(CNC(=O)c3ccccc3)C2)c1
InChIInChI=1S/C23H27N3O4/c1-2-21(28)25-18-10-11-20(27)19(13-18)23(30)26-12-6-7-16(15-26)14-24-22(29)17-8-4-3-5-9-17/h3-5,8-11,13,16,27H,2,6-7,12,14-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyYVXMSSGOCGJOOL-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.02
Rot. Bonds6

About N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide

N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide (PubChem CID 166184363) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide
PubChem CID166184363
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)N2CCCC(CNC(=O)c3ccccc3)C2)c1
InChIInChI=1S/C23H27N3O4/c1-2-21(28)25-18-10-11-20(27)19(13-18)23(30)26-12-6-7-16(15-26)14-24-22(29)17-8-4-3-5-9-17/h3-5,8-11,13,16,27H,2,6-7,12,14-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyYVXMSSGOCGJOOL-UHFFFAOYSA-N
XLogP3.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-[[1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45224813
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 119766222
N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide
CID 86892668
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 119313467

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide (CID 166184363) is N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide is CCC(=O)Nc1ccc(O)c(C(=O)N2CCCC(CNC(=O)c3ccccc3)C2)c1.
What is the InChIKey of N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is YVXMSSGOCGJOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-2-21(28)25-18-10-11-20(27)19(13-18)23(30)26-12-6-7-16(15-26)14-24-22(29)17-8-4-3-5-9-17/h3-5,8-11,13,16,27H,2,6-7,12,14-15H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide?
N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-hydroxy-5-(propanoylamino)benzoyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 166184363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).