4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide

C18H26N2O3 — CID 111422376

IUPAC4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCC(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-13-7-9-20(10-8-13)12-17(22)11-19-18(23)16-5-3-15(4-6-16)14(2)21/h3-6,13,17,22H,7-12H2,1-2H3,(H,19,23)
InChIKeyYFBJSALLEZGBHV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.71
Rot. Bonds6

About 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide

4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 111422376) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID111422376
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCC(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-13-7-9-20(10-8-13)12-17(22)11-19-18(23)16-5-3-15(4-6-16)14(2)21/h3-6,13,17,22H,7-12H2,1-2H3,(H,19,23)
InChIKeyYFBJSALLEZGBHV-UHFFFAOYSA-N
XLogP1.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111422463
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111422368
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-nitrobenzamide
CID 111112812
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111422396
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 111422524
4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide
CID 110905164
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 111422376) is 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide is CC(=O)c1ccc(C(=O)NCC(O)CN2CCC(C)CC2)cc1.
What is the InChIKey of 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is YFBJSALLEZGBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-7-9-20(10-8-13)12-17(22)11-19-18(23)16-5-3-15(4-6-16)14(2)21/h3-6,13,17,22H,7-12H2,1-2H3,(H,19,23).
What are the key properties of 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide?
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 111422376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).