3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide

C16H23N3O2 — CID 119520999

IUPAC3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)N2CCC(C(C)N)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(17)12-6-8-19(9-7-12)16(21)14-5-3-4-13(10-14)15(20)18-2/h3-5,10-12H,6-9,17H2,1-2H3,(H,18,20)
InChIKeyZOQOQOIYNWMUOT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.25
Rot. Bonds3

About 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide

3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide (PubChem CID 119520999) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide
PubChem CID119520999
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)N2CCC(C(C)N)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(17)12-6-8-19(9-7-12)16(21)14-5-3-4-13(10-14)15(20)18-2/h3-5,10-12H,6-9,17H2,1-2H3,(H,18,20)
InChIKeyZOQOQOIYNWMUOT-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
3-(4-propan-2-ylpiperidine-1-carbonyl)benzenecarbothioamide
CID 103495637
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 119520117
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanone
CID 119519782
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
CID 119520750
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
N-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119519630
3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide
CID 90380541

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide?
The IUPAC name of 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide (CID 119520999) is 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide?
The canonical SMILES for 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide is CNC(=O)c1cccc(C(=O)N2CCC(C(C)N)CC2)c1.
What is the InChIKey of 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide?
The InChIKey is ZOQOQOIYNWMUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(17)12-6-8-19(9-7-12)16(21)14-5-3-4-13(10-14)15(20)18-2/h3-5,10-12H,6-9,17H2,1-2H3,(H,18,20).
What are the key properties of 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide?
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide is sourced from PubChem (CID 119520999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).