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

C16H22ClFN2O — CID 86779934

IUPAC(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride
SMILESC/C(=C/c1ccc(F)cc1)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-12(9-13-4-6-15(17)7-5-13)16(20)19-11-14-3-2-8-18-10-14;/h4-7,9,14,18H,2-3,8,10-11H2,1H3,(H,19,20);1H/b12-9-;
InChIKeyKUCFJVJYHBJYHQ-MWMYENNMSA-N
MW312.82 g/mol
LogP2.77
Rot. Bonds4

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

(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride (PubChem CID 86779934) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride
PubChem CID86779934
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride
SMILESC/C(=C/c1ccc(F)cc1)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-12(9-13-4-6-15(17)7-5-13)16(20)19-11-14-3-2-8-18-10-14;/h4-7,9,14,18H,2-3,8,10-11H2,1H3,(H,19,20);1H/b12-9-;
InChIKeyKUCFJVJYHBJYHQ-MWMYENNMSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.77
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

4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
CID 99978745
(Z)-3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide
CID 143622632
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 86813740
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
1-(2,6-difluorophenyl)-3-(piperidin-3-ylmethyl)urea;hydrochloride
CID 165430548
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461422
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride?
The IUPAC name of (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride (CID 86779934) is (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride is C/C(=C/c1ccc(F)cc1)C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride?
The InChIKey is KUCFJVJYHBJYHQ-MWMYENNMSA-N. The full InChI is InChI=1S/C16H21FN2O.ClH/c1-12(9-13-4-6-15(17)7-5-13)16(20)19-11-14-3-2-8-18-10-14;/h4-7,9,14,18H,2-3,8,10-11H2,1H3,(H,19,20);1H/b12-9-;.
What are the key properties of (Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride?
(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.77, 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-3-ylmethyl)prop-2-enamide;hydrochloride is sourced from PubChem (CID 86779934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).