3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide

C16H25N3O — CID 43664751

IUPAC3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(N)=O)c1)C1CCN(C)CC1
InChIInChI=1S/C16H25N3O/c1-12(14-6-8-19(2)9-7-14)18-11-13-4-3-5-15(10-13)16(17)20/h3-5,10,12,14,18H,6-9,11H2,1-2H3,(H2,17,20)
InChIKeyURUVXTOMMBEKNE-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.61
Rot. Bonds5

About 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide

3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide (PubChem CID 43664751) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
PubChem CID43664751
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(N)=O)c1)C1CCN(C)CC1
InChIInChI=1S/C16H25N3O/c1-12(14-6-8-19(2)9-7-14)18-11-13-4-3-5-15(10-13)16(17)20/h3-5,10,12,14,18H,6-9,11H2,1-2H3,(H2,17,20)
InChIKeyURUVXTOMMBEKNE-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726
N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43308095
2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid
CID 62696371
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide
CID 63031426
3-[1-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 43308766
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
CID 79540029
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide (CID 43664751) is 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide is CC(NCc1cccc(C(N)=O)c1)C1CCN(C)CC1.
What is the InChIKey of 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide?
The InChIKey is URUVXTOMMBEKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(14-6-8-19(2)9-7-14)18-11-13-4-3-5-15(10-13)16(17)20/h3-5,10,12,14,18H,6-9,11H2,1-2H3,(H2,17,20).
What are the key properties of 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide?
3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43664751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).