(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide

C16H21FN2O — CID 86779897

IUPAC(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide
SMILESC/C(=C/c1ccc(F)cc1)C(=O)NCC1CCNCC1
InChIInChI=1S/C16H21FN2O/c1-12(10-13-2-4-15(17)5-3-13)16(20)19-11-14-6-8-18-9-7-14/h2-5,10,14,18H,6-9,11H2,1H3,(H,19,20)/b12-10-
InChIKeyAJVMLOIVMIRXOW-BENRWUELSA-N
MW276.36 g/mol
LogP2.34
Rot. Bonds4

About (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide

(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide (PubChem CID 86779897) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide
PubChem CID86779897
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide
SMILESC/C(=C/c1ccc(F)cc1)C(=O)NCC1CCNCC1
InChIInChI=1S/C16H21FN2O/c1-12(10-13-2-4-15(17)5-3-13)16(20)19-11-14-6-8-18-9-7-14/h2-5,10,14,18H,6-9,11H2,1H3,(H,19,20)/b12-10-
InChIKeyAJVMLOIVMIRXOW-BENRWUELSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride
CID 86779934
2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
CID 76923281
(E)-N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide;hydrochloride
CID 84591079
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide
CID 17019739
N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide
CID 3148496
N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-2-methyl-3-(4-methylphenyl)prop-2-enamide
CID 136561145
N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700451
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene
CID 142509357
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
1-(3-fluoro-4-methylphenyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 165429682

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide (CID 86779897) is (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide is C/C(=C/c1ccc(F)cc1)C(=O)NCC1CCNCC1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide?
The InChIKey is AJVMLOIVMIRXOW-BENRWUELSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12(10-13-2-4-15(17)5-3-13)16(20)19-11-14-6-8-18-9-7-14/h2-5,10,14,18H,6-9,11H2,1H3,(H,19,20)/b12-10-.
What are the key properties of (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide?
(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide has a molecular weight of 276.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 86779897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).