(Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride

C18H26ClFN2O — CID 102560206

IUPAC(Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride
SMILESCCCN(C(=O)/C=C(/C)c1cccc(F)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-3-11-21(17-7-9-20-10-8-17)18(22)12-14(2)15-5-4-6-16(19)13-15;/h4-6,12-13,17,20H,3,7-11H2,1-2H3;1H/b14-12-;
InChIKeyTZPZGTVXEMHDHX-CTMPBGLUSA-N
MW340.87 g/mol
LogP3.64
Rot. Bonds5

About (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride

(Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride (PubChem CID 102560206) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride.

Molecular Properties

Compound Name(Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride
PubChem CID102560206
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name(Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride
SMILESCCCN(C(=O)/C=C(/C)c1cccc(F)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-3-11-21(17-7-9-20-10-8-17)18(22)12-14(2)15-5-4-6-16(19)13-15;/h4-6,12-13,17,20H,3,7-11H2,1-2H3;1H/b14-12-;
InChIKeyTZPZGTVXEMHDHX-CTMPBGLUSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823341
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
CID 61232094
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride
CID 119531294
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823800
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823512
(Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide
CID 109400129

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride?
The IUPAC name of (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride (CID 102560206) is (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride.
What is the SMILES notation for (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride?
The canonical SMILES for (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride is CCCN(C(=O)/C=C(/C)c1cccc(F)c1)C1CCNCC1.Cl.
What is the InChIKey of (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride?
The InChIKey is TZPZGTVXEMHDHX-CTMPBGLUSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c1-3-11-21(17-7-9-20-10-8-17)18(22)12-14(2)15-5-4-6-16(19)13-15;/h4-6,12-13,17,20H,3,7-11H2,1-2H3;1H/b14-12-;.
What are the key properties of (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride?
(Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluorophenyl)-N-piperidin-4-yl-N-propylbut-2-enamide;hydrochloride is sourced from PubChem (CID 102560206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).