4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide

C16H25N3O — CID 83025152

IUPAC4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide
SMILESCCCNc1cc(C)ccc1C(=O)NN1CCCCC1
InChIInChI=1S/C16H25N3O/c1-3-9-17-15-12-13(2)7-8-14(15)16(20)18-19-10-5-4-6-11-19/h7-8,12,17H,3-6,9-11H2,1-2H3,(H,18,20)
InChIKeyXIUNKGSLRAXOBN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.95
Rot. Bonds5

About 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide

4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide (PubChem CID 83025152) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide.

Molecular Properties

Compound Name4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide
PubChem CID83025152
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide
SMILESCCCNc1cc(C)ccc1C(=O)NN1CCCCC1
InChIInChI=1S/C16H25N3O/c1-3-9-17-15-12-13(2)7-8-14(15)16(20)18-19-10-5-4-6-11-19/h7-8,12,17H,3-6,9-11H2,1-2H3,(H,18,20)
InChIKeyXIUNKGSLRAXOBN-UHFFFAOYSA-N
XLogP2.95
TPSA44.37 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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-methyl-N-morpholin-4-ylbenzamide
CID 83024771
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide
CID 107415255
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
3-(ethylamino)-N-piperidin-1-ylpyridine-4-carboxamide
CID 105070981
N-cyclohexyl-5-methyl-2-(propylamino)benzamide
CID 62509311
4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295510
N-(cyclobutylmethyl)-N-ethyl-4-methyl-2-(propylamino)benzamide
CID 107401376
5-methyl-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499534
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013832
4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid
CID 62710645

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide?
The IUPAC name of 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide (CID 83025152) is 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide.
What is the SMILES notation for 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide?
The canonical SMILES for 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide is CCCNc1cc(C)ccc1C(=O)NN1CCCCC1.
What is the InChIKey of 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide?
The InChIKey is XIUNKGSLRAXOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-9-17-15-12-13(2)7-8-14(15)16(20)18-19-10-5-4-6-11-19/h7-8,12,17H,3-6,9-11H2,1-2H3,(H,18,20).
What are the key properties of 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide?
4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-piperidin-1-yl-2-(propylamino)benzamide is sourced from PubChem (CID 83025152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).