3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide

C17H27N3O — CID 62654182

IUPAC3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC2CCCN(C)C2)c1
InChIInChI=1S/C17H27N3O/c1-3-9-18-17(21)15-7-4-8-16(11-15)19-12-14-6-5-10-20(2)13-14/h4,7-8,11,14,19H,3,5-6,9-10,12-13H2,1-2H3,(H,18,21)
InChIKeyIFWIUXFFEVFMKQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.58
Rot. Bonds6

About 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide

3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide (PubChem CID 62654182) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
PubChem CID62654182
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC2CCCN(C)C2)c1
InChIInChI=1S/C17H27N3O/c1-3-9-18-17(21)15-7-4-8-16(11-15)19-12-14-6-5-10-20(2)13-14/h4,7-8,11,14,19H,3,5-6,9-10,12-13H2,1-2H3,(H,18,21)
InChIKeyIFWIUXFFEVFMKQ-UHFFFAOYSA-N
XLogP2.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656504
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide
CID 82833688
3-(ethylamino)-N-propylbenzamide
CID 43676038
N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62657161
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 60537196
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62658835
3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
CID 62180024

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide (CID 62654182) is 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC2CCCN(C)C2)c1.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide?
The InChIKey is IFWIUXFFEVFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-9-18-17(21)15-7-4-8-16(11-15)19-12-14-6-5-10-20(2)13-14/h4,7-8,11,14,19H,3,5-6,9-10,12-13H2,1-2H3,(H,18,21).
What are the key properties of 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide?
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide is sourced from PubChem (CID 62654182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).