3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide

C17H24N2O2 — CID 17018957

IUPAC3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H24N2O2/c1-13-5-3-7-15(11-13)17(21)18-9-8-16(20)19-10-4-6-14(2)12-19/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3,(H,18,21)
InChIKeyPFZZNPUKEQDLBT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.37
Rot. Bonds4

About 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide

3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide (PubChem CID 17018957) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
PubChem CID17018957
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H24N2O2/c1-13-5-3-7-15(11-13)17(21)18-9-8-16(20)19-10-4-6-14(2)12-19/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3,(H,18,21)
InChIKeyPFZZNPUKEQDLBT-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
CID 30283843
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536941
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methylbenzoate
CID 2401543
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867
3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818354
N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94815523
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide (CID 17018957) is 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide is Cc1cccc(C(=O)NCCC(=O)N2CCCC(C)C2)c1.
What is the InChIKey of 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide?
The InChIKey is PFZZNPUKEQDLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-5-3-7-15(11-13)17(21)18-9-8-16(20)19-10-4-6-14(2)12-19/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide?
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 17018957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).