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

C18H29N3O2 — CID 110905164

IUPAC4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14-7-9-21(10-8-14)13-17(22)12-20-11-15-3-5-16(6-4-15)18(23)19-2/h3-6,14,17,20,22H,7-13H2,1-2H3,(H,19,23)
InChIKeyCFQGXAYNVISOHT-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.23
Rot. Bonds7

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

4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide (PubChem CID 110905164) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide
PubChem CID110905164
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14-7-9-21(10-8-14)13-17(22)12-20-11-15-3-5-16(6-4-15)18(23)19-2/h3-6,14,17,20,22H,7-13H2,1-2H3,(H,19,23)
InChIKeyCFQGXAYNVISOHT-UHFFFAOYSA-N
XLogP1.23
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904890
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
1-[(4-methoxy-3-nitrophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905261
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466680
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111422368
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 111110859
1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide (CID 110905164) is 4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCC(O)CN2CCC(C)CC2)cc1.
What is the InChIKey of 4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide?
The InChIKey is CFQGXAYNVISOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-7-9-21(10-8-14)13-17(22)12-20-11-15-3-5-16(6-4-15)18(23)19-2/h3-6,14,17,20,22H,7-13H2,1-2H3,(H,19,23).
What are the key properties of 4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide?
4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide has a molecular weight of 319.45 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 110905164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).