N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide

C16H22N2O2 — CID 120556672

IUPACN-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C16H22N2O2/c1-3-10-20-14-6-4-13(5-7-14)16(19)18-15-8-9-17-11-12(15)2/h3-7,12,15,17H,1,8-11H2,2H3,(H,18,19)
InChIKeyZJVZMQVTOQNVNG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.98
Rot. Bonds5

About N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide

N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide (PubChem CID 120556672) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
PubChem CID120556672
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C16H22N2O2/c1-3-10-20-14-6-4-13(5-7-14)16(19)18-15-8-9-17-11-12(15)2/h3-7,12,15,17H,1,8-11H2,2H3,(H,18,19)
InChIKeyZJVZMQVTOQNVNG-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553316
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120557775
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119604415
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide (CID 120556672) is N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC2CCNCC2C)cc1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide?
The InChIKey is ZJVZMQVTOQNVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-10-20-14-6-4-13(5-7-14)16(19)18-15-8-9-17-11-12(15)2/h3-7,12,15,17H,1,8-11H2,2H3,(H,18,19).
What are the key properties of N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide?
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide has a molecular weight of 274.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 120556672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).