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

C17H26N2O2 — CID 111112795

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-3-5-15(6-4-13)17(21)18-11-16(20)12-19-9-7-14(2)8-10-19/h3-6,14,16,20H,7-12H2,1-2H3,(H,18,21)
InChIKeyHDXGRBOYUCIIBF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.82
Rot. Bonds5

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

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide (PubChem CID 111112795) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
PubChem CID111112795
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-3-5-15(6-4-13)17(21)18-11-16(20)12-19-9-7-14(2)8-10-19/h3-6,14,16,20H,7-12H2,1-2H3,(H,18,21)
InChIKeyHDXGRBOYUCIIBF-UHFFFAOYSA-N
XLogP1.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111422368
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729
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
2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 95304469
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(5-methylthiophen-2-yl)acetamide
CID 111422497

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide (CID 111112795) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)CN2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide?
The InChIKey is HDXGRBOYUCIIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-3-5-15(6-4-13)17(21)18-11-16(20)12-19-9-7-14(2)8-10-19/h3-6,14,16,20H,7-12H2,1-2H3,(H,18,21).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide is sourced from PubChem (CID 111112795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).