4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide

C13H19N3O2 — CID 120962997

IUPAC4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCC2CNCC2O)cc1
InChIInChI=1S/C13H19N3O2/c14-13(18)10-3-1-9(2-4-10)5-15-6-11-7-16-8-12(11)17/h1-4,11-12,15-17H,5-8H2,(H2,14,18)
InChIKeyAFCTVVLLFPOVKV-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.54
Rot. Bonds5

About 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide

4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide (PubChem CID 120962997) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide
PubChem CID120962997
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCC2CNCC2O)cc1
InChIInChI=1S/C13H19N3O2/c14-13(18)10-3-1-9(2-4-10)5-15-6-11-7-16-8-12(11)17/h1-4,11-12,15-17H,5-8H2,(H2,14,18)
InChIKeyAFCTVVLLFPOVKV-UHFFFAOYSA-N
XLogP-0.54
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride
CID 120961894
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962514
ethyl 5-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]furan-2-carboxylate
CID 120962633
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79353421
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 64912854
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
CID 120961737

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide?
The IUPAC name of 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide (CID 120962997) is 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide is NC(=O)c1ccc(CNCC2CNCC2O)cc1.
What is the InChIKey of 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide?
The InChIKey is AFCTVVLLFPOVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-13(18)10-3-1-9(2-4-10)5-15-6-11-7-16-8-12(11)17/h1-4,11-12,15-17H,5-8H2,(H2,14,18).
What are the key properties of 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide?
4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of -0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 120962997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).