4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide

C17H24N2O — CID 93490121

IUPAC4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C17H24N2O/c1-3-10-18-17(20)16-8-6-15(7-9-16)13-19-11-4-5-14(2)12-19/h3,6-9,14H,1,4-5,10-13H2,2H3,(H,18,20)/t14-/m0/s1
InChIKeyLOXNUQRTBUBIPI-AWEZNQCLSA-N
MW272.39 g/mol
LogP2.83
Rot. Bonds5

About 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide

4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide (PubChem CID 93490121) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
PubChem CID93490121
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C17H24N2O/c1-3-10-18-17(20)16-8-6-15(7-9-16)13-19-11-4-5-14(2)12-19/h3,6-9,14H,1,4-5,10-13H2,2H3,(H,18,20)/t14-/m0/s1
InChIKeyLOXNUQRTBUBIPI-AWEZNQCLSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
2-methyl-1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-prop-2-enylguanidine
CID 110979551
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110925545
N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684727
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide (CID 93490121) is 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1.
What is the InChIKey of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide?
The InChIKey is LOXNUQRTBUBIPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-10-18-17(20)16-8-6-15(7-9-16)13-19-11-4-5-14(2)12-19/h3,6-9,14H,1,4-5,10-13H2,2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide?
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide has a molecular weight of 272.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 93490121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).