3-[(piperidin-3-ylmethylamino)methyl]benzamide

C14H21N3O — CID 80553685

IUPAC3-[(piperidin-3-ylmethylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNCC2CCCNC2)c1
InChIInChI=1S/C14H21N3O/c15-14(18)13-5-1-3-11(7-13)8-17-10-12-4-2-6-16-9-12/h1,3,5,7,12,16-17H,2,4,6,8-10H2,(H2,15,18)
InChIKeyVSNLCKRZXSZOLX-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.87
Rot. Bonds5

About 3-[(piperidin-3-ylmethylamino)methyl]benzamide

3-[(piperidin-3-ylmethylamino)methyl]benzamide (PubChem CID 80553685) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(piperidin-3-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(piperidin-3-ylmethylamino)methyl]benzamide
PubChem CID80553685
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[(piperidin-3-ylmethylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNCC2CCCNC2)c1
InChIInChI=1S/C14H21N3O/c15-14(18)13-5-1-3-11(7-13)8-17-10-12-4-2-6-16-9-12/h1,3,5,7,12,16-17H,2,4,6,8-10H2,(H2,15,18)
InChIKeyVSNLCKRZXSZOLX-UHFFFAOYSA-N
XLogP0.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748
3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 103699975
3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride
CID 120961894
3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzamide
CID 103270759
3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide
CID 106637286
3-[(thiolan-3-ylmethylamino)methyl]benzamide
CID 107131427
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
3-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]benzamide
CID 55026135
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263

Frequently Asked Questions

What is the IUPAC name of 3-[(piperidin-3-ylmethylamino)methyl]benzamide?
The IUPAC name of 3-[(piperidin-3-ylmethylamino)methyl]benzamide (CID 80553685) is 3-[(piperidin-3-ylmethylamino)methyl]benzamide.
What is the SMILES notation for 3-[(piperidin-3-ylmethylamino)methyl]benzamide?
The canonical SMILES for 3-[(piperidin-3-ylmethylamino)methyl]benzamide is NC(=O)c1cccc(CNCC2CCCNC2)c1.
What is the InChIKey of 3-[(piperidin-3-ylmethylamino)methyl]benzamide?
The InChIKey is VSNLCKRZXSZOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(18)13-5-1-3-11(7-13)8-17-10-12-4-2-6-16-9-12/h1,3,5,7,12,16-17H,2,4,6,8-10H2,(H2,15,18).
What are the key properties of 3-[(piperidin-3-ylmethylamino)methyl]benzamide?
3-[(piperidin-3-ylmethylamino)methyl]benzamide has a molecular weight of 247.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(piperidin-3-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 80553685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).